CID 217794

39630-07-4

Structural Information

Molecular Formula

C₂₂H₂₅N₃O₃

SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-22(2,3)24-21(28)17-11-7-8-12-18(17)23-20(27)15-13-19(26)25(14-15)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,23,27)(H,24,28)

InChIKey

WCWFPHDGSXZDRC-UHFFFAOYSA-N

Compound name

N-[2-(tert-butylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.1896 Da
Monoisotopic Mass: 2.6
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]+	380.196876	191.5
[M+Na]+	402.178818	195.1
[M-H]-	378.182324	199.7
[M+NH4]+	397.223423	202.7
[M+K]+	418.152758	191.1
[M+H-H2O]+	362.186860	182.3
[M+HCOO]-	424.187801	210.8
[M+CH3COO]-	438.203451	222.7
[M+Na-2H]-	400.164266	191.3
[M]+	379.18905142	189.3
[M]-	379.19014858	189.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.