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

3
Annotation Hits: 30
References: 2209
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]+	216.04375	143.2
[M+Na]+	238.02569	150.7
[M+NH4]+	233.07029	149.1
[M+K]+	253.99963	146.4
[M-H]-	214.02919	143.9
[M+Na-2H]-	236.01114	147.4
[M]+	215.03592	144.4
[M]-	215.03702	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe