CID 372904

Nsc648616

Structural Information

Molecular Formula
C19H13N3O4S2
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4
InChI
InChI=1S/C19H13N3O4S2/c23-17-11-16(14-3-1-2-4-15(14)18(17)24)21-12-5-7-13(8-6-12)28(25,26)22-19-20-9-10-27-19/h1-11,21H,(H,20,22)
InChIKey
ZVYPGYFZNKUQNJ-UHFFFAOYSA-N
Compound name
4-[(3,4-dioxonaphthalen-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.03476 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.04204 192.1
[M+Na]+ 434.02398 201.1
[M-H]- 410.02748 201.4
[M+NH4]+ 429.06858 203.8
[M+K]+ 449.99792 193.9
[M+H-H2O]+ 394.03202 184.6
[M+HCOO]- 456.03296 205.7
[M+CH3COO]- 470.04861 201.8
[M+Na-2H]- 432.00943 196.7
[M]+ 411.03421 195.2
[M]- 411.03531 195.2
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

No patent data available for this compound.