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 200.7
[M+Na]+ 457.09412 208.7
[M-H]- 433.09762 208.9
[M+NH4]+ 452.13872 207.7
[M+K]+ 473.06806 202.1
[M+H-H2O]+ 417.10216 190.0
[M+HCOO]- 479.10310 216.4
[M+CH3COO]- 493.11875 229.3
[M+Na-2H]- 455.07957 207.2
[M]+ 434.10435 203.3
[M]- 434.10545 203.3
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.