Metabolite 7-Hydroxytacrine

Name

7-Hydroxytacrine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 214.268
Monoisotopic: 214.110613079

Chemical Formula

C₁₃H₁₄N₂O

InChI Key

XEUVIAIVRAPEEH-UHFFFAOYSA-N

InChI

InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h3,5,7,16H,1-2,4,6H2,(H2,14,15)

IUPAC Name

9-amino-5,6,7,8-tetrahydroacridin-4-ol

SMILES

[H]N([H])C1=C2C(=NC3=C1C([H])=C([H])C([H])=C3O)C([H])([H])C([H])([H])C([H])([H])C2([H])[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0190000000-a8171606de143ebd25c7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-b9aa747020ca41962714
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0190000000-a8171606de143ebd25c7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001s-3900000000-42ec414f93411fec35a5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0190000000-cacd584d6d930408ec1e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001r-1900000000-e931e0530ac1aa1b37d4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	160.34401	predicted	DeepCCS 1.0 (2019)
[M+H]+	162.75272	predicted	DeepCCS 1.0 (2019)
[M+Na]+	170.06937	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties