CID 76606

1-isopropyl-3-(phenylsulfonyl)urea

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

CC(C)NC(=O)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H14N2O3S/c1-8(2)11-10(13)12-16(14,15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)

InChIKey

BSCZJJVDWSSENV-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)-3-propan-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 242.07251 Da
Monoisotopic Mass: 1.3
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]+	243.07979	152.9
[M+Na]+	265.06173	160.9
[M+NH4]+	260.10633	159.0
[M+K]+	281.03567	155.6
[M-H]-	241.06523	153.4
[M+Na-2H]-	263.04718	157.4
[M]+	242.07196	154.2
[M]-	242.07306	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe