CID 6475

Chlorphenoxamine

Structural Information

Molecular Formula

C₁₈H₂₂ClNO

SMILES

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

InChI

InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3

InChIKey

KKHPNPMTPORSQE-UHFFFAOYSA-N

Compound name

2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 34
References: 2481
Patents: 303.13898 Da
Monoisotopic Mass: 4.1
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]+	304.14626	172.6
[M+Na]+	326.12820	178.9
[M-H]-	302.13170	180.0
[M+NH4]+	321.17280	188.7
[M+K]+	342.10214	174.4
[M+H-H2O]+	286.13624	165.0
[M+HCOO]-	348.13718	191.1
[M+CH3COO]-	362.15283	209.5
[M+Na-2H]-	324.11365	177.5
[M]+	303.13843	177.2
[M]-	303.13953	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe