CID 3083671

Tolpentamide

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCC2

InChI

InChI=1S/C13H18N2O3S/c1-10-6-8-12(9-7-10)19(17,18)15-13(16)14-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3,(H2,14,15,16)

InChIKey

SHVCKTUQDUTJDT-UHFFFAOYSA-N

Compound name

1-cyclopentyl-3-(4-methylphenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 37
Patents: 282.10382 Da
Monoisotopic Mass: 2.4
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]+	283.11110	163.8
[M+Na]+	305.09304	171.1
[M+NH4]+	300.13764	170.5
[M+K]+	321.06698	166.7
[M-H]-	281.09654	166.0
[M+Na-2H]-	303.07849	168.5
[M]+	282.10327	165.5
[M]-	282.10437	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe