CID 17605733

[(4-sulfamoylphenyl)methyl]urea

Structural Information

Molecular Formula

C₈H₁₁N₃O₃S

SMILES

C1=CC(=CC=C1CNC(=O)N)S(=O)(=O)N

InChI

InChI=1S/C8H11N3O3S/c9-8(12)11-5-6-1-3-7(4-2-6)15(10,13)14/h1-4H,5H2,(H3,9,11,12)(H2,10,13,14)

InChIKey

MKLIHIQQRVXEQU-UHFFFAOYSA-N

Compound name

(4-sulfamoylphenyl)methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.05211 Da
Monoisotopic Mass: -1.0
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]+	230.059386	146.3
[M+Na]+	252.041328	152.9
[M-H]-	228.044834	149.1
[M+NH4]+	247.085933	163.0
[M+K]+	268.015268	149.7
[M+H-H2O]+	212.049370	139.5
[M+HCOO]-	274.050311	165.9
[M+CH3COO]-	288.065961	191.5
[M+Na-2H]-	250.026776	150.0
[M]+	229.05156142	144.7
[M]-	229.05265858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe