CID 390428

Nsc687782

Structural Information

Molecular Formula
C25H22N4O7S2
SMILES
CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)C)C(=O)N1NS(=O)(=O)C4=CC=CC=C4C(=O)C
InChI
InChI=1S/C25H22N4O7S2/c1-15(30)19-8-4-6-10-23(19)27-37(33,34)18-12-13-22-21(14-18)25(32)29(17(3)26-22)28-38(35,36)24-11-7-5-9-20(24)16(2)31/h4-14,27-28H,1-3H3
InChIKey
UDRKDFAGYMXHFV-UHFFFAOYSA-N
Compound name
N-(2-acetylphenyl)-3-[(2-acetylphenyl)sulfonylamino]-2-methyl-4-oxoquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.093 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.10028 226.0
[M+Na]+ 577.08222 232.1
[M-H]- 553.08572 233.0
[M+NH4]+ 572.12682 227.5
[M+K]+ 593.05616 226.3
[M+H-H2O]+ 537.09026 216.0
[M+HCOO]- 599.09120 233.5
[M+CH3COO]- 613.10685 251.5
[M+Na-2H]- 575.06767 231.8
[M]+ 554.09245 231.9
[M]- 554.09355 231.9
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.