CID 390431

Nsc687785

Structural Information

Molecular Formula
C15H12N6O5S4
SMILES
CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)N1NS(=O)(=O)C4=NC=CS4
InChI
InChI=1S/C15H12N6O5S4/c1-9-18-12-3-2-10(29(23,24)19-14-16-4-6-27-14)8-11(12)13(22)21(9)20-30(25,26)15-17-5-7-28-15/h2-8,20H,1H3,(H,16,19)
InChIKey
OLKZUOHNDOLUFW-UHFFFAOYSA-N
Compound name
N-[2-methyl-4-oxo-6-(1,3-thiazol-2-ylsulfamoyl)quinazolin-3-yl]-1,3-thiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.9752 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.98248 211.7
[M+Na]+ 506.96442 224.1
[M-H]- 482.96792 217.0
[M+NH4]+ 502.00902 218.8
[M+K]+ 522.93836 214.5
[M+H-H2O]+ 466.97246 207.9
[M+HCOO]- 528.97340 215.0
[M+CH3COO]- 542.98905 218.8
[M+Na-2H]- 504.94987 218.6
[M]+ 483.97465 215.6
[M]- 483.97575 215.6
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.