CID 199355

4059-25-0

Structural Information

Molecular Formula
C18H22ClNO
SMILES
CC(CN(C)C)C(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C18H22ClNO/c1-14(13-20(2)3)18(21,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12,14,21H,13H2,1-3H3
InChIKey
MXMZETXGMCGSMS-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(dimethylamino)-2-methyl-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13898 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.146256 171.8
[M+Na]+ 326.128198 177.5
[M-H]- 302.131704 178.0
[M+NH4]+ 321.172803 187.2
[M+K]+ 342.102138 172.7
[M+H-H2O]+ 286.136240 164.9
[M+HCOO]- 348.137181 188.0
[M+CH3COO]- 362.152831 207.8
[M+Na-2H]- 324.113646 175.3
[M]+ 303.13843142 174.1
[M]- 303.13952858 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.