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 185.3
[M+Na]+ 403.10400 192.5
[M-H]- 379.10750 188.7
[M+NH4]+ 398.14860 196.9
[M+K]+ 419.07794 186.3
[M+H-H2O]+ 363.11204 173.1
[M+HCOO]- 425.11298 200.8
[M+CH3COO]- 439.12863 218.8
[M+Na-2H]- 401.08945 183.5
[M]+ 380.11423 178.7
[M]- 380.11533 178.7
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.