CID 2872768

N-(3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C18H17ClN2O2/c1-12-15(19)8-5-9-16(12)20-18(23)13-10-17(22)21(11-13)14-6-3-2-4-7-14/h2-9,13H,10-11H2,1H3,(H,20,23)
InChIKey
XWJJOVBWEZPCKJ-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

328.09787 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10515 176.9
[M+Na]+ 351.08709 184.7
[M-H]- 327.09059 185.5
[M+NH4]+ 346.13169 191.8
[M+K]+ 367.06103 178.4
[M+H-H2O]+ 311.09513 168.5
[M+HCOO]- 373.09607 194.1
[M+CH3COO]- 387.11172 209.0
[M+Na-2H]- 349.07254 176.5
[M]+ 328.09732 177.2
[M]- 328.09842 177.2
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.