CID 3087294

113849-20-0

Structural Information

Molecular Formula
C22H18N4O4S
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)S(=O)(=O)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C22H18N4O4S/c1-15-23-20-10-6-5-9-19(20)21(27)26(15)17-11-13-18(14-12-17)31(29,30)25-22(28)24-16-7-3-2-4-8-16/h2-14H,1H3,(H2,24,25,28)
InChIKey
OCNGEKPUVFEXGV-UHFFFAOYSA-N
Compound name
1-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11218 197.7
[M+Na]+ 457.09412 212.1
[M+NH4]+ 452.13872 203.2
[M+K]+ 473.06806 203.6
[M-H]- 433.09762 203.0
[M+Na-2H]- 455.07957 207.7
[M]+ 434.10435 201.7
[M]- 434.10545 201.7
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.