CID 135433155

5,6-dihydroxy-2-[2-(1-naphthylsulfonylamino)phenyl]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C21H15N3O6S
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NC3=CC=CC=C3C4=NC(=C(C(=O)N4)O)C(=O)O
InChI
InChI=1S/C21H15N3O6S/c25-18-17(21(27)28)22-19(23-20(18)26)14-9-3-4-10-15(14)24-31(29,30)16-11-5-7-12-6-1-2-8-13(12)16/h1-11,24-25H,(H,27,28)(H,22,23,26)
InChIKey
ZIIGYWFCPBJHNH-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[2-(naphthalen-1-ylsulfonylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.06815 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.07543 197.7
[M+Na]+ 460.05737 205.4
[M-H]- 436.06087 202.4
[M+NH4]+ 455.10197 202.6
[M+K]+ 476.03131 198.7
[M+H-H2O]+ 420.06541 188.2
[M+HCOO]- 482.06635 208.5
[M+CH3COO]- 496.08200 222.5
[M+Na-2H]- 458.04282 202.8
[M]+ 437.06760 198.8
[M]- 437.06870 198.8
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.