CID 4248131

1467-23-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

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

InChI

InChI=1S/C10H14N2O3S/c1-3-11-10(13)12-16(14,15)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,11,12,13)

InChIKey

TYRVXLIAZXPCND-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 242.07251 Da
Monoisotopic Mass: 1.1
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	151.7
[M+Na]+	265.06173	158.5
[M-H]-	241.06523	155.5
[M+NH4]+	260.10633	169.0
[M+K]+	281.03567	155.6
[M+H-H2O]+	225.06977	145.1
[M+HCOO]-	287.07071	171.0
[M+CH3COO]-	301.08636	192.6
[M+Na-2H]-	263.04718	155.9
[M]+	242.07196	153.7
[M]-	242.07306	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe