CID 3042487

59749-51-8

Structural Information

Molecular Formula
C19H16F4N2O2
SMILES
C1CC(=O)N(C1C(=O)NC2=CC=CC(=C2)C(F)(F)F)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H16F4N2O2/c20-14-6-4-12(5-7-14)11-25-16(8-9-17(25)26)18(27)24-15-3-1-2-13(10-15)19(21,22)23/h1-7,10,16H,8-9,11H2,(H,24,27)
InChIKey
BVOGHMOIQINDMB-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11478 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12206 189.8
[M+Na]+ 403.10400 196.9
[M+NH4]+ 398.14860 192.9
[M+K]+ 419.07794 192.9
[M-H]- 379.10750 187.7
[M+Na-2H]- 401.08945 193.0
[M]+ 380.11423 189.7
[M]- 380.11533 189.7
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

No patent data available for this compound.