CID 2948561

N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H14BrFN2O2
SMILES
C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Br
InChI
InChI=1S/C17H14BrFN2O2/c18-12-2-1-3-14(9-12)20-17(23)11-8-16(22)21(10-11)15-6-4-13(19)5-7-15/h1-7,9,11H,8,10H2,(H,20,23)
InChIKey
ZKWIODAJHCSGBO-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.02228 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.02956 180.3
[M+Na]+ 399.01150 190.2
[M-H]- 375.01500 189.9
[M+NH4]+ 394.05610 196.0
[M+K]+ 414.98544 177.5
[M+H-H2O]+ 359.01954 177.0
[M+HCOO]- 421.02048 198.9
[M+CH3COO]- 435.03613 213.3
[M+Na-2H]- 396.99695 181.2
[M]+ 376.02173 195.6
[M]- 376.02283 195.6
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.