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]+ 343.12078 181.5
[M+Na]+ 365.10272 189.7
[M-H]- 341.10622 190.2
[M+NH4]+ 360.14732 196.0
[M+K]+ 381.07666 183.2
[M+H-H2O]+ 325.11076 173.1
[M+HCOO]- 387.11170 198.3
[M+CH3COO]- 401.12735 213.2
[M+Na-2H]- 363.08817 179.8
[M]+ 342.11295 182.4
[M]- 342.11405 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.