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
7
Annotation Hits

34
References

2367
Patents

303.13898 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.146256 172.6
[M+Na]+ 326.128198 178.9
[M-H]- 302.131704 180.0
[M+NH4]+ 321.172803 188.7
[M+K]+ 342.102138 174.4
[M+H-H2O]+ 286.136240 165.0
[M+HCOO]- 348.137181 191.1
[M+CH3COO]- 362.152831 209.5
[M+Na-2H]- 324.113646 177.5
[M]+ 303.13843142 177.2
[M]- 303.13952858 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe