CID 15981

Alpha-(2-(2-pyridylamino)ethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

C1=CC=C(C=C1)C(CCNC2=CC=CC=N2)O

InChI

InChI=1S/C14H16N2O/c17-13(12-6-2-1-3-7-12)9-11-16-14-8-4-5-10-15-14/h1-8,10,13,17H,9,11H2,(H,15,16)

InChIKey

HLIOOIHXCHGQGA-UHFFFAOYSA-N

Compound name

1-phenyl-3-(pyridin-2-ylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.12627 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.133546	151.5
[M+Na]+	251.115488	156.5
[M-H]-	227.118994	154.9
[M+NH4]+	246.160093	166.6
[M+K]+	267.089428	152.4
[M+H-H2O]+	211.123530	143.1
[M+HCOO]-	273.124471	173.4
[M+CH3COO]-	287.140121	189.8
[M+Na-2H]-	249.100936	158.5
[M]+	228.12572142	149.3
[M]-	228.12681858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe