CID 4694745

4-(semicarbazidosulfonyl)acetanilide

Structural Information

Molecular Formula
C9H12N4O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)N
InChI
InChI=1S/C9H12N4O4S/c1-6(14)11-7-2-4-8(5-3-7)18(16,17)13-12-9(10)15/h2-5,13H,1H3,(H,11,14)(H3,10,12,15)
InChIKey
XGEUCSQEBBTZKR-UHFFFAOYSA-N
Compound name
N-[4-[(carbamoylamino)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

272.05792 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06520 155.7
[M+Na]+ 295.04714 160.7
[M-H]- 271.05064 158.7
[M+NH4]+ 290.09174 170.2
[M+K]+ 311.02108 158.3
[M+H-H2O]+ 255.05518 148.1
[M+HCOO]- 317.05612 175.8
[M+CH3COO]- 331.07177 202.2
[M+Na-2H]- 293.03259 159.8
[M]+ 272.05737 154.6
[M]- 272.05847 154.6
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

patents stripe