CID 37529

Dtxsid10957990

Structural Information

Molecular Formula
C22H25F2NO
SMILES
C1CC(CCC1C2=CC=C(C=C2)F)NCCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H25F2NO/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/h3-6,9-12,17,21,25H,1-2,7-8,13-15H2
InChIKey
ORTVYUUOWZBDDJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)cyclohexyl]amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

357.19043 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.19771 186.5
[M+Na]+ 380.17965 189.8
[M-H]- 356.18315 191.9
[M+NH4]+ 375.22425 198.1
[M+K]+ 396.15359 183.4
[M+H-H2O]+ 340.18769 174.9
[M+HCOO]- 402.18863 203.3
[M+CH3COO]- 416.20428 218.6
[M+Na-2H]- 378.16510 185.3
[M]+ 357.18988 179.7
[M]- 357.19098 179.7
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

patents stripe