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]+ 304.14626 171.8
[M+Na]+ 326.12820 177.5
[M-H]- 302.13170 178.0
[M+NH4]+ 321.17280 187.2
[M+K]+ 342.10214 172.7
[M+H-H2O]+ 286.13624 164.9
[M+HCOO]- 348.13718 188.0
[M+CH3COO]- 362.15283 207.8
[M+Na-2H]- 324.11365 175.3
[M]+ 303.13843 174.1
[M]- 303.13953 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.