CID 2942596

N-(3-chloro-2-methylphenyl)-5-oxo-1-[4-(propan-2-yloxy)phenyl]pyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C21H23ClN2O3
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC(C)C
InChI
InChI=1S/C21H23ClN2O3/c1-13(2)27-17-9-7-16(8-10-17)24-12-15(11-20(24)25)21(26)23-19-6-4-5-18(22)14(19)3/h4-10,13,15H,11-12H2,1-3H3,(H,23,26)
InChIKey
MXUJMWDIMGSIKV-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.1397 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14698 192.5
[M+Na]+ 409.12892 199.3
[M-H]- 385.13242 201.1
[M+NH4]+ 404.17352 205.1
[M+K]+ 425.10286 193.7
[M+H-H2O]+ 369.13696 183.9
[M+HCOO]- 431.13790 207.8
[M+CH3COO]- 445.15355 222.1
[M+Na-2H]- 407.11437 188.9
[M]+ 386.13915 195.1
[M]- 386.14025 195.1
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.