CID 217791

39630-04-1

Structural Information

Molecular Formula

C₁₉H₁₈N₂O₄

SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4/c1-25-19(24)15-9-5-6-10-16(15)20-18(23)13-11-17(22)21(12-13)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,20,23)

InChIKey

MNPGILARYZHJMK-UHFFFAOYSA-N

Compound name

methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 338.12665 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	339.133926	178.0
[M+Na]+	361.115868	183.2
[M-H]-	337.119374	186.4
[M+NH4]+	356.160473	190.9
[M+K]+	377.089808	179.8
[M+H-H2O]+	321.123910	168.7
[M+HCOO]-	383.124851	199.0
[M+CH3COO]-	397.140501	211.0
[M+Na-2H]-	359.101316	177.5
[M]+	338.12610142	177.3
[M]-	338.12719858	177.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.