CID 11033

Sulfacarbamide

Structural Information

Molecular Formula

C₇H₉N₃O₃S

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N

InChI

InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)

InChIKey

WVAKABMNNSMCDK-UHFFFAOYSA-N

Compound name

(4-aminophenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 30
References: 2385
Patents: 215.03647 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]+	216.043746	142.0
[M+Na]+	238.025688	149.1
[M-H]-	214.029194	144.9
[M+NH4]+	233.070293	159.2
[M+K]+	253.999628	146.0
[M+H-H2O]+	198.033730	135.4
[M+HCOO]-	260.034671	161.9
[M+CH3COO]-	274.050321	188.4
[M+Na-2H]-	236.011136	146.1
[M]+	215.03592142	140.0
[M]-	215.03701858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe