CID 2856144

1-(4-bromophenyl)-n-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C18H16BrClN2O2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H16BrClN2O2/c1-11-15(20)3-2-4-16(11)21-18(24)12-9-17(23)22(10-12)14-7-5-13(19)6-8-14/h2-8,12H,9-10H2,1H3,(H,21,24)
InChIKey
BQCINLUMGMJMBK-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

406.00836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.01564 187.0
[M+Na]+ 428.99758 198.4
[M-H]- 405.00108 198.0
[M+NH4]+ 424.04218 202.9
[M+K]+ 444.97152 184.3
[M+H-H2O]+ 389.00562 185.1
[M+HCOO]- 451.00656 201.9
[M+CH3COO]- 465.02221 218.1
[M+Na-2H]- 426.98303 187.0
[M]+ 406.00781 206.1
[M]- 406.00891 206.1
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.