CID 135434363

5,6-dihydroxy-2-[3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]phenyl]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H13N3O6
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CC3=CC(=CC=C3)C4=NC(=C(C(=O)N4)O)C(=O)O
InChI
InChI=1S/C19H13N3O6/c23-15-14(18(25)26)20-16(21-17(15)24)11-5-3-4-10(8-11)9-22-12-6-1-2-7-13(12)28-19(22)27/h1-8,23H,9H2,(H,25,26)(H,20,21,24)
InChIKey
VEJYIXLDCYJTKI-UHFFFAOYSA-N
Compound name
5-hydroxy-6-oxo-2-[3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]phenyl]-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.08044 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08772 185.1
[M+Na]+ 402.06966 196.4
[M-H]- 378.07316 191.0
[M+NH4]+ 397.11426 192.0
[M+K]+ 418.04360 191.2
[M+H-H2O]+ 362.07770 175.4
[M+HCOO]- 424.07864 201.8
[M+CH3COO]- 438.09429 195.2
[M+Na-2H]- 400.05511 187.9
[M]+ 379.07989 189.0
[M]- 379.08099 189.0
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.