CID 193244

36735-48-5

Structural Information

Molecular Formula
C22H23F2NO
SMILES
C1CC(=CCC1NCCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H23F2NO/c23-19-9-3-16(4-10-19)17-7-13-21(14-8-17)25-15-1-2-22(26)18-5-11-20(24)12-6-18/h3-7,9-12,21,25H,1-2,8,13-15H2
InChIKey
YPJKDDHCJRLZIW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)cyclohex-3-en-1-yl]amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.17477 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18205 185.4
[M+Na]+ 378.16399 189.7
[M-H]- 354.16749 191.2
[M+NH4]+ 373.20859 197.1
[M+K]+ 394.13793 183.1
[M+H-H2O]+ 338.17203 173.7
[M+HCOO]- 400.17297 203.6
[M+CH3COO]- 414.18862 218.3
[M+Na-2H]- 376.14944 185.2
[M]+ 355.17422 180.0
[M]- 355.17532 180.0
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.