CID 2890189

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

Structural Information

Molecular Formula
C19H19ClN2O2
SMILES
CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=C(C(=CC=C3)Cl)C
InChI
InChI=1S/C19H19ClN2O2/c1-12-6-8-15(9-7-12)22-11-14(10-18(22)23)19(24)21-17-5-3-4-16(20)13(17)2/h3-9,14H,10-11H2,1-2H3,(H,21,24)
InChIKey
PMFHLBMNBWGGON-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.1135 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.120776 181.5
[M+Na]+ 365.102718 189.7
[M-H]- 341.106224 190.2
[M+NH4]+ 360.147323 196.0
[M+K]+ 381.076658 183.2
[M+H-H2O]+ 325.110760 173.1
[M+HCOO]- 387.111701 198.3
[M+CH3COO]- 401.127351 213.2
[M+Na-2H]- 363.088166 179.8
[M]+ 342.11295142 182.4
[M]- 342.11404858 182.4
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.