CID 3162

Doxylamine

Structural Information

Molecular Formula

C₁₇H₂₂N₂O

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C

InChI

InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3

InChIKey

HCFDWZZGGLSKEP-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 498
References: 20761
Patents: 270.17322 Da
Monoisotopic Mass: 2.5
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]+	271.18050	165.7
[M+Na]+	293.16244	179.0
[M+NH4]+	288.20704	174.0
[M+K]+	309.13638	171.4
[M-H]-	269.16594	170.3
[M+Na-2H]-	291.14789	175.7
[M]+	270.17267	169.1
[M]-	270.17377	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe