CID 135434745

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

Structural Information

Molecular Formula
C15H10N4O6
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(N=CO2)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C15H10N4O6/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
MUDJFXOYGXIUTN-UHFFFAOYSA-N
Compound name
2-(5-benzamido-1,3-oxazol-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

342.06003 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06731 173.5
[M+Na]+ 365.04925 181.4
[M-H]- 341.05275 177.8
[M+NH4]+ 360.09385 180.1
[M+K]+ 381.02319 178.0
[M+H-H2O]+ 325.05729 163.9
[M+HCOO]- 387.05823 190.8
[M+CH3COO]- 401.07388 204.8
[M+Na-2H]- 363.03470 175.8
[M]+ 342.05948 173.7
[M]- 342.06058 173.7
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.