CID 3087297

N-(((4-methylphenyl)amino)carbonyl)-4-(4-oxo-2-phenyl-3(4h)-quinazolinyl)benzenesulfonamide

Structural Information

Molecular Formula
C28H22N4O4S
SMILES
CC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C28H22N4O4S/c1-19-11-13-21(14-12-19)29-28(34)31-37(35,36)23-17-15-22(16-18-23)32-26(20-7-3-2-4-8-20)30-25-10-6-5-9-24(25)27(32)33/h2-18H,1H3,(H2,29,31,34)
InChIKey
RPCRBXZYLANVDB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.13617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.14345 221.3
[M+Na]+ 533.12539 228.4
[M-H]- 509.12889 232.0
[M+NH4]+ 528.16999 224.5
[M+K]+ 549.09933 220.8
[M+H-H2O]+ 493.13343 208.8
[M+HCOO]- 555.13437 235.8
[M+CH3COO]- 569.15002 228.1
[M+Na-2H]- 531.11084 226.8
[M]+ 510.13562 223.3
[M]- 510.13672 223.3
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.