CID 2902416

N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C17H15BrN2O2
SMILES
C1C(CN(C1=O)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)Br
InChI
InChI=1S/C17H15BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h1-8,10,12H,9,11H2,(H,19,22)
InChIKey
XZNCKIBUPHQSLE-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.03168 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03896 176.3
[M+Na]+ 381.02090 185.3
[M-H]- 357.02440 186.8
[M+NH4]+ 376.06550 192.5
[M+K]+ 396.99484 173.2
[M+H-H2O]+ 341.02894 173.8
[M+HCOO]- 403.02988 195.9
[M+CH3COO]- 417.04553 209.7
[M+Na-2H]- 379.00635 178.5
[M]+ 358.03113 192.2
[M]- 358.03223 192.2
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.