CID 215700

36090-34-3

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₃S

SMILES

C1CN(C(=O)C1C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H16N2O3S/c17-22(20,21)14-8-6-13(7-9-14)18-11-10-15(16(18)19)12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,17,20,21)

InChIKey

AOTSGWPFQNICGI-UHFFFAOYSA-N

Compound name

4-(2-oxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 316.08817 Da
Monoisotopic Mass: 1.6
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]+	317.095446	172.2
[M+Na]+	339.077388	180.4
[M-H]-	315.080894	180.8
[M+NH4]+	334.121993	186.9
[M+K]+	355.051328	175.0
[M+H-H2O]+	299.085430	164.6
[M+HCOO]-	361.086371	189.0
[M+CH3COO]-	375.102021	203.0
[M+Na-2H]-	337.062836	172.9
[M]+	316.08762142	171.5
[M]-	316.08871858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe