CID 390430

Nsc687784

Structural Information

Molecular Formula
C19H16N6O5S2
SMILES
CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)N1NS(=O)(=O)C4=CC=CC=N4
InChI
InChI=1S/C19H16N6O5S2/c1-13-22-16-9-8-14(31(27,28)23-17-6-2-4-10-20-17)12-15(16)19(26)25(13)24-32(29,30)18-7-3-5-11-21-18/h2-12,24H,1H3,(H,20,23)
InChIKey
KEOJFGQLWVISSI-UHFFFAOYSA-N
Compound name
2-methyl-4-oxo-N-pyridin-2-yl-3-(pyridin-2-ylsulfonylamino)quinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.06235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06963 207.0
[M+Na]+ 495.05157 216.3
[M-H]- 471.05507 212.3
[M+NH4]+ 490.09617 209.9
[M+K]+ 511.02551 208.1
[M+H-H2O]+ 455.05961 197.2
[M+HCOO]- 517.06055 215.7
[M+CH3COO]- 531.07620 232.5
[M+Na-2H]- 493.03702 216.8
[M]+ 472.06180 210.6
[M]- 472.06290 210.6
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.