CID 2760130

4-(4-methylphenylsulfonyl)semicarbazide hydrochloride

Structural Information

Molecular Formula
C8H11N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN
InChI
InChI=1S/C8H11N3O3S/c1-6-2-4-7(5-3-6)15(13,14)11-8(12)10-9/h2-5H,9H2,1H3,(H2,10,11,12)
InChIKey
AZHBZBVPYMKDED-UHFFFAOYSA-N
Compound name
1-amino-3-(4-methylphenyl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe