CID 38517

Trans-4'-fluoro-4-(4-(p-anisyl)cyclohexylamino)butyrophenone hydrochloride

Structural Information

Molecular Formula
C23H28FNO2
SMILES
COC1=CC=C(C=C1)C2CCC(CC2)NCCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H28FNO2/c1-27-22-14-8-18(9-15-22)17-6-12-21(13-7-17)25-16-2-3-23(26)19-4-10-20(24)11-5-19/h4-5,8-11,14-15,17,21,25H,2-3,6-7,12-13,16H2,1H3
InChIKey
BPADHBDCEVYZRV-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[[4-(4-methoxyphenyl)cyclohexyl]amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

369.21042 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21770 190.8
[M+Na]+ 392.19964 193.4
[M-H]- 368.20314 197.4
[M+NH4]+ 387.24424 201.9
[M+K]+ 408.17358 188.0
[M+H-H2O]+ 352.20768 179.8
[M+HCOO]- 414.20862 208.5
[M+CH3COO]- 428.22427 221.0
[M+Na-2H]- 390.18509 189.8
[M]+ 369.20987 186.8
[M]- 369.21097 186.8
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.