CID 24856357

4-amino-n-[(2-sulfanylethyl)carbamoyl]benzenesulfonamide

Structural Information

Molecular Formula
C9H13N3O3S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC(=O)NCCS
InChI
InChI=1S/C9H13N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)12-9(13)11-5-6-16/h1-4,16H,5-6,10H2,(H2,11,12,13)
InChIKey
LHVDNDIAMJOEKH-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)sulfonyl-3-(2-sulfanylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.03983 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04711 157.3
[M+Na]+ 298.02905 163.0
[M-H]- 274.03255 159.4
[M+NH4]+ 293.07365 172.3
[M+K]+ 314.00299 157.8
[M+H-H2O]+ 258.03709 149.9
[M+HCOO]- 320.03803 171.0
[M+CH3COO]- 334.05368 198.9
[M+Na-2H]- 296.01450 160.1
[M]+ 275.03928 157.4
[M]- 275.04038 157.4
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

No patent data available for this compound.