CID 383271

Nsc671385

Structural Information

Molecular Formula
C15H11N3O4S2
SMILES
C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C15H11N3O4S2/c16-24(21,22)12-8-6-11(7-9-12)18-14(20)13(19)17(15(18)23)10-4-2-1-3-5-10/h1-9H,(H2,16,21,22)
InChIKey
JJSZFFMWZHQMED-UHFFFAOYSA-N
Compound name
4-(4,5-dioxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0191 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.02638 182.5
[M+Na]+ 384.00832 192.8
[M-H]- 360.01182 189.9
[M+NH4]+ 379.05292 194.4
[M+K]+ 399.98226 185.5
[M+H-H2O]+ 344.01636 175.3
[M+HCOO]- 406.01730 193.3
[M+CH3COO]- 420.03295 210.3
[M+Na-2H]- 381.99377 181.2
[M]+ 361.01855 183.6
[M]- 361.01965 183.6
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.