CID 3087296

113849-22-2

Structural Information

Molecular Formula
C27H20N4O4S
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)S(=O)(=O)NC(=O)NC5=CC=CC=C5
InChI
InChI=1S/C27H20N4O4S/c32-26-23-13-7-8-14-24(23)29-25(19-9-3-1-4-10-19)31(26)21-15-17-22(18-16-21)36(34,35)30-27(33)28-20-11-5-2-6-12-20/h1-18H,(H2,28,30,33)
InChIKey
JLMGMCVNHMOVSN-UHFFFAOYSA-N
Compound name
1-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]sulfonyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.1205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.12778 215.9
[M+Na]+ 519.10972 222.7
[M-H]- 495.11322 226.4
[M+NH4]+ 514.15432 219.5
[M+K]+ 535.08366 215.1
[M+H-H2O]+ 479.11776 203.5
[M+HCOO]- 541.11870 230.8
[M+CH3COO]- 555.13435 222.9
[M+Na-2H]- 517.09517 222.7
[M]+ 496.11995 217.2
[M]- 496.12105 217.2
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.