CID 135434267

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

Structural Information

Molecular Formula
C16H12N4O6S
SMILES
C1=CC=C(C(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)NS(=O)(=O)C3=CC=CC=N3
InChI
InChI=1S/C16H12N4O6S/c21-13-12(16(23)24)18-14(19-15(13)22)9-5-1-2-6-10(9)20-27(25,26)11-7-3-4-8-17-11/h1-8,20-21H,(H,23,24)(H,18,19,22)
InChIKey
UNPYXHSEEYRBKV-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-2-[2-(pyridin-2-ylsulfonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.04776 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05504 185.1
[M+Na]+ 411.03698 193.1
[M-H]- 387.04048 188.0
[M+NH4]+ 406.08158 189.7
[M+K]+ 427.01092 186.6
[M+H-H2O]+ 371.04502 175.6
[M+HCOO]- 433.04596 196.6
[M+CH3COO]- 447.06161 211.0
[M+Na-2H]- 409.02243 189.4
[M]+ 388.04721 185.5
[M]- 388.04831 185.5
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.