CID 2564

Carbinoxamine

Structural Information

Molecular Formula

C₁₆H₁₉ClN₂O

SMILES

CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2

InChI

InChI=1S/C16H19ClN2O/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13/h3-10,16H,11-12H2,1-2H3

InChIKey

OJFSXZCBGQGRNV-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 76
References: 14968
Patents: 290.1186 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]+	291.12588	167.2
[M+Na]+	313.10782	181.8
[M+NH4]+	308.15242	176.0
[M+K]+	329.08176	173.3
[M-H]-	289.11132	172.3
[M+Na-2H]-	311.09327	176.9
[M]+	290.11805	171.1
[M]-	290.11915	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe