Metabolite Norbenzydamine

Name

Norbenzydamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 295.386
Monoisotopic: 295.168462308

Chemical Formula

C₁₈H₂₁N₃O

InChI Key

GHSWAWCBZHYVJJ-UHFFFAOYSA-N

InChI

InChI=1S/C18H21N3O/c1-19-12-7-13-22-18-16-10-5-6-11-17(16)21(20-18)14-15-8-3-2-4-9-15/h2-6,8-11,19H,7,12-14H2,1H3

IUPAC Name

{3-[(1-benzyl-1H-indazol-3-yl)oxy]propyl}(methyl)amine

SMILES

CNCCCOC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006t-4090000000-0a244601ec682f49417b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-380754a4a851765eadfd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006t-8090000000-e7f3afcdb58c934b6761
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0290000000-ff32936abf3a1c8c1634
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9100000000-5d30859ca84642045a16
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-1910000000-068511541a92fb7d5f3f

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	178.8515813	predicted	DarkChem Lite v0.1.0
[M-H]-	167.732	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.0585813	predicted	DarkChem Lite v0.1.0
[M+H]+	170.09	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.9705813	predicted	DarkChem Lite v0.1.0
[M+Na]+	176.18314	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties