CID 390418

Nsc687772

Structural Information

Molecular Formula
C20H16N4O5S2
SMILES
C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O5S2/c25-20-18-13-17(30(26,27)22-15-7-3-1-4-8-15)11-12-19(18)21-14-24(20)23-31(28,29)16-9-5-2-6-10-16/h1-14,22-23H
InChIKey
HGEZYNOZUFHITP-UHFFFAOYSA-N
Compound name
3-(benzenesulfonamido)-4-oxo-N-phenylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0562 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.06348 202.3
[M+Na]+ 479.04542 210.4
[M-H]- 455.04892 209.5
[M+NH4]+ 474.09002 208.2
[M+K]+ 495.01936 202.9
[M+H-H2O]+ 439.05346 192.7
[M+HCOO]- 501.05440 213.3
[M+CH3COO]- 515.07005 228.6
[M+Na-2H]- 477.03087 212.2
[M]+ 456.05565 205.3
[M]- 456.05675 205.3
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.