CID 280908

3-methyl-1-(4-sulfamoylphenyl)urea

Structural Information

Molecular Formula
C8H11N3O3S
SMILES
CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C8H11N3O3S/c1-10-8(12)11-6-2-4-7(5-3-6)15(9,13)14/h2-5H,1H3,(H2,9,13,14)(H2,10,11,12)
InChIKey
CNNRTLYSXSQFBO-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

229.05211 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05939 146.4
[M+Na]+ 252.04133 153.1
[M-H]- 228.04483 149.8
[M+NH4]+ 247.08593 163.5
[M+K]+ 268.01527 150.3
[M+H-H2O]+ 212.04937 139.7
[M+HCOO]- 274.05031 166.6
[M+CH3COO]- 288.06596 191.3
[M+Na-2H]- 250.02678 151.1
[M]+ 229.05156 145.8
[M]- 229.05266 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe