CID 383329

Nsc671439

Structural Information

Molecular Formula
C22H15ClN2O5S
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15ClN2O5S/c23-15-10-12-16(13-11-15)24-22(27)25-31(28,29)21-19(26)17-8-4-5-9-18(17)30-20(21)14-6-2-1-3-7-14/h1-13H,(H2,24,25,27)
InChIKey
OYZZTVVOUDYJOP-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-oxo-2-phenylchromen-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.03903 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.04631 202.7
[M+Na]+ 477.02825 211.5
[M-H]- 453.03175 214.4
[M+NH4]+ 472.07285 211.4
[M+K]+ 493.00219 206.4
[M+H-H2O]+ 437.03629 194.0
[M+HCOO]- 499.03723 216.1
[M+CH3COO]- 513.05288 212.4
[M+Na-2H]- 475.01370 209.1
[M]+ 454.03848 209.2
[M]- 454.03958 209.2
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.