CID 16727909

Schembl5940990

Structural Information

Molecular Formula
C16H12N4O3S2
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C(=O)NS3)C#N
InChI
InChI=1S/C16H12N4O3S2/c17-10-14-15(21)19-24-16(14)18-11-6-8-13(9-7-11)25(22,23)20-12-4-2-1-3-5-12/h1-9,18,20H,(H,19,21)
InChIKey
BUVUHLCXGVIOPC-UHFFFAOYSA-N
Compound name
4-[(4-cyano-3-oxo-1,2-thiazol-5-yl)amino]-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.0351 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.04238 200.7
[M+Na]+ 395.02432 211.4
[M-H]- 371.02782 206.7
[M+NH4]+ 390.06892 211.0
[M+K]+ 410.99826 203.4
[M+H-H2O]+ 355.03236 186.5
[M+HCOO]- 417.03330 210.9
[M+CH3COO]- 431.04895 208.1
[M+Na-2H]- 393.00977 201.6
[M]+ 372.03455 196.2
[M]- 372.03565 196.2
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