CID 114352

Trans-4'-fluoro-4-((4-methoxy-4-o-tolylcyclohexyl)amino)butyrophenone hydrochloride hydrate

Structural Information

Molecular Formula
C24H30FNO2
SMILES
CC1=CC=CC=C1C2(CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C24H30FNO2/c1-18-6-3-4-7-22(18)24(28-2)15-13-21(14-16-24)26-17-5-8-23(27)19-9-11-20(25)12-10-19/h3-4,6-7,9-12,21,26H,5,8,13-17H2,1-2H3
InChIKey
ZVYDSLPVPGTAJQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[[4-methoxy-4-(2-methylphenyl)cyclohexyl]amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.22604 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23332 195.4
[M+Na]+ 406.21526 198.6
[M-H]- 382.21876 202.3
[M+NH4]+ 401.25986 208.0
[M+K]+ 422.18920 193.4
[M+H-H2O]+ 366.22330 184.7
[M+HCOO]- 428.22424 212.8
[M+CH3COO]- 442.23989 223.4
[M+Na-2H]- 404.20071 195.0
[M]+ 383.22549 192.1
[M]- 383.22659 192.1
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.