Metabolite 1-hydroxytacrine

Name

1-hydroxytacrine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

JFN3Z63E2C

CAS number

Not Available

Weight

Average: 214.2631
Monoisotopic: 214.11061308

Chemical Formula

C₁₃H₁₄N₂O

InChI Key

HLVVITIHAZBPKB-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)

IUPAC Name

9-imino-1,2,3,4,9,10-hexahydroacridin-1-ol

SMILES

OC1CCCC2=C1C(=N)C1=CC=CC=C1N2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0002-0900000000-007e82dad188a69323bc
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0290000000-e31070681c624252b283
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01ot-0980000000-54d8db246a10ce4dafea
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01ot-0960000000-98ce1bad7c4ce6fa3fcf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0930000000-39ef2bc87d2ff275377a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-015d-0900000000-7dc2edfa396fd7551728
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-5df486488889524d92e6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	152.6594655	predicted	DarkChem Lite v0.1.0
[M-H]-	152.7351655	predicted	DarkChem Lite v0.1.0
[M-H]-	148.28748	predicted	DeepCCS 1.0 (2019)
[M+H]+	152.5758655	predicted	DarkChem Lite v0.1.0
[M+H]+	152.5660655	predicted	DarkChem Lite v0.1.0
[M+H]+	150.64548	predicted	DeepCCS 1.0 (2019)
[M+Na]+	152.7618655	predicted	DarkChem Lite v0.1.0
[M+Na]+	152.7105655	predicted	DarkChem Lite v0.1.0
[M+Na]+	158.45811	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties