CID 135434381

2-[3-(benzenesulfonamido)phenyl]-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C17H13N3O6S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C17H13N3O6S/c21-14-13(17(23)24)18-15(19-16(14)22)10-5-4-6-11(9-10)20-27(25,26)12-7-2-1-3-8-12/h1-9,20-21H,(H,23,24)(H,18,19,22)
InChIKey
VRBQRTJCQBLQBK-UHFFFAOYSA-N
Compound name
2-[3-(benzenesulfonamido)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.05252 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05980 185.0
[M+Na]+ 410.04174 192.6
[M-H]- 386.04524 189.0
[M+NH4]+ 405.08634 191.0
[M+K]+ 426.01568 186.3
[M+H-H2O]+ 370.04978 175.9
[M+HCOO]- 432.05072 197.5
[M+CH3COO]- 446.06637 211.1
[M+Na-2H]- 408.02719 188.8
[M]+ 387.05197 185.4
[M]- 387.05307 185.4
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.