CID 3105210

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

Structural Information

Molecular Formula
C18H17BrN2O2
SMILES
CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC(=CC=C3)Br
InChI
InChI=1S/C18H17BrN2O2/c1-12-5-7-16(8-6-12)21-11-13(9-17(21)22)18(23)20-15-4-2-3-14(19)10-15/h2-8,10,13H,9,11H2,1H3,(H,20,23)
InChIKey
FMHZFBRIVJUGBN-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.04733 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05461 180.7
[M+Na]+ 395.03655 190.2
[M-H]- 371.04005 191.5
[M+NH4]+ 390.08115 196.6
[M+K]+ 411.01049 177.8
[M+H-H2O]+ 355.04459 178.2
[M+HCOO]- 417.04553 200.0
[M+CH3COO]- 431.06118 213.6
[M+Na-2H]- 393.02200 181.7
[M]+ 372.04678 197.3
[M]- 372.04788 197.3
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.