CID 267368

Tolpyrramide

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCC2

InChI

InChI=1S/C12H16N2O3S/c1-10-4-6-11(7-5-10)18(16,17)13-12(15)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)

InChIKey

RFVJKWJDUQOEML-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 296
Patents: 268.08817 Da
Monoisotopic Mass: 1.5
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]+	269.095446	160.3
[M+Na]+	291.077388	166.8
[M-H]-	267.080894	165.8
[M+NH4]+	286.121993	177.2
[M+K]+	307.051328	163.8
[M+H-H2O]+	251.085430	153.5
[M+HCOO]-	313.086371	176.6
[M+CH3COO]-	327.102021	192.6
[M+Na-2H]-	289.062836	161.7
[M]+	268.08762142	160.2
[M]-	268.08871858	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe