CID 3087295

113849-21-1

Structural Information

Molecular Formula
C23H20N4O4S
SMILES
CC1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C
InChI
InChI=1S/C23H20N4O4S/c1-15-7-9-17(10-8-15)25-23(29)26-32(30,31)19-13-11-18(12-14-19)27-16(2)24-21-6-4-3-5-20(21)22(27)28/h3-14H,1-2H3,(H2,25,26,29)
InChIKey
XWHXNHUKNUXSKN-UHFFFAOYSA-N
Compound name
1-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]sulfonyl-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.12778 205.9
[M+Na]+ 471.10972 214.2
[M-H]- 447.11322 214.3
[M+NH4]+ 466.15432 212.6
[M+K]+ 487.08366 207.5
[M+H-H2O]+ 431.11776 195.1
[M+HCOO]- 493.11870 221.1
[M+CH3COO]- 507.13435 233.5
[M+Na-2H]- 469.09517 211.1
[M]+ 448.11995 209.3
[M]- 448.12105 209.3
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.