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

0
Patents

229.05211 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05939 147.5
[M+Na]+ 252.04133 154.7
[M+NH4]+ 247.08593 153.2
[M+K]+ 268.01527 150.2
[M-H]- 228.04483 148.2
[M+Na-2H]- 250.02678 151.4
[M]+ 229.05156 148.6
[M]- 229.05266 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.