CID 390427

Nsc687781

Structural Information

Molecular Formula
C25H24N6O7S2
SMILES
CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)N1NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C25H24N6O7S2/c1-15-26-24-13-12-22(39(35,36)29-20-6-4-18(5-7-20)27-16(2)32)14-23(24)25(34)31(15)30-40(37,38)21-10-8-19(9-11-21)28-17(3)33/h4-14,29-30H,1-3H3,(H,27,32)(H,28,33)
InChIKey
YBSUTNRUYJLSIC-UHFFFAOYSA-N
Compound name
N-[4-[[3-[(4-acetamidophenyl)sulfonylamino]-2-methyl-4-oxoquinazolin-6-yl]sulfonylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.1148 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.12208 229.9
[M+Na]+ 607.10402 234.0
[M-H]- 583.10752 236.4
[M+NH4]+ 602.14862 229.6
[M+K]+ 623.07796 228.6
[M+H-H2O]+ 567.11206 219.6
[M+HCOO]- 629.11300 239.1
[M+CH3COO]- 643.12865 261.1
[M+Na-2H]- 605.08947 238.5
[M]+ 584.11425 234.2
[M]- 584.11535 234.2
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.