CID 3038950

42020-76-8

Structural Information

Molecular Formula
C24H27F4NO2
SMILES
COC1(CCC(CC1)NCCCC(=O)C2=CC=C(C=C2)F)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C24H27F4NO2/c1-31-23(18-4-2-5-19(16-18)24(26,27)28)13-11-21(12-14-23)29-15-3-6-22(30)17-7-9-20(25)10-8-17/h2,4-5,7-10,16,21,29H,3,6,11-15H2,1H3
InChIKey
WAHULUJALAYXPX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[[4-methoxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

437.19778 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20506 205.5
[M+Na]+ 460.18700 209.4
[M-H]- 436.19050 208.3
[M+NH4]+ 455.23160 215.7
[M+K]+ 476.16094 203.4
[M+H-H2O]+ 420.19504 192.4
[M+HCOO]- 482.19598 217.9
[M+CH3COO]- 496.21163 231.2
[M+Na-2H]- 458.17245 204.1
[M]+ 437.19723 198.3
[M]- 437.19833 198.3
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.