CID 135434743

2-(5-benzamidothiazol-4-yl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C15H10N4O5S
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(N=CS2)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C15H10N4O5S/c20-10-8(15(23)24)17-11(18-13(10)22)9-14(25-6-16-9)19-12(21)7-4-2-1-3-5-7/h1-6,20H,(H,19,21)(H,23,24)(H,17,18,22)
InChIKey
PYFLSOZCCJEOTP-UHFFFAOYSA-N
Compound name
2-(5-benzamido-1,3-thiazol-4-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04448 177.2
[M+Na]+ 381.02642 185.5
[M-H]- 357.02992 180.9
[M+NH4]+ 376.07102 185.4
[M+K]+ 397.00036 179.6
[M+H-H2O]+ 341.03446 168.9
[M+HCOO]- 403.03540 190.6
[M+CH3COO]- 417.05105 205.6
[M+Na-2H]- 379.01187 177.1
[M]+ 358.03665 177.9
[M]- 358.03775 177.9
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.