CID 135434198

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

Structural Information

Molecular Formula
C17H11Cl2N3O6S
SMILES
C1=CC=C(C(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H11Cl2N3O6S/c18-10-6-5-8(7-11(10)19)29(27,28)22-12-4-2-1-3-9(12)15-20-13(17(25)26)14(23)16(24)21-15/h1-7,22-23H,(H,25,26)(H,20,21,24)
InChIKey
MEDRLMKDLRATBC-UHFFFAOYSA-N
Compound name
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.97455 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.98183 191.7
[M+Na]+ 477.96377 201.5
[M-H]- 453.96727 196.2
[M+NH4]+ 473.00837 197.3
[M+K]+ 493.93771 194.2
[M+H-H2O]+ 437.97181 184.8
[M+HCOO]- 499.97275 195.1
[M+CH3COO]- 513.98840 221.2
[M+Na-2H]- 475.94922 193.7
[M]+ 454.97400 196.8
[M]- 454.97510 196.8
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.