CID 16072551

N-(3-bromo-5-(trifluoromethyl)phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C18H20BrF3N2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)Br
InChI
InChI=1S/C18H20BrF3N2O2/c19-13-7-12(18(20,21)22)8-14(9-13)23-17(26)11-6-16(25)24(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,23,26)
InChIKey
QOGYBSDNSMHZBE-UHFFFAOYSA-N
Compound name
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

432.066 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.07328 198.8
[M+Na]+ 455.05522 206.0
[M-H]- 431.05872 204.7
[M+NH4]+ 450.09982 212.1
[M+K]+ 471.02916 193.1
[M+H-H2O]+ 415.06326 194.3
[M+HCOO]- 477.06420 209.4
[M+CH3COO]- 491.07985 221.9
[M+Na-2H]- 453.04067 195.8
[M]+ 432.06545 207.6
[M]- 432.06655 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.