CID 378743

Nsc661842

Structural Information

Molecular Formula
C16H11ClN2O5S
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClN2O5S/c17-10-5-7-11(8-6-10)18-16(21)19-25(22,23)14-9-24-13-4-2-1-3-12(13)15(14)20/h1-9H,(H2,18,19,21)
InChIKey
JQUMLMAFJOZZEM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-oxochromen-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.00772 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.01500 180.5
[M+Na]+ 400.99694 189.9
[M-H]- 377.00044 189.5
[M+NH4]+ 396.04154 192.7
[M+K]+ 416.97088 185.6
[M+H-H2O]+ 361.00498 173.6
[M+HCOO]- 423.00592 194.7
[M+CH3COO]- 437.02157 214.7
[M+Na-2H]- 398.98239 188.0
[M]+ 378.00717 187.1
[M]- 378.00827 187.1
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.