CID 135434327

2-(3-benzamidophenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C18H13N3O5
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C18H13N3O5/c22-14-13(18(25)26)20-15(21-17(14)24)11-7-4-8-12(9-11)19-16(23)10-5-2-1-3-6-10/h1-9,22H,(H,19,23)(H,25,26)(H,20,21,24)
InChIKey
XYZZLADLMZJGSA-UHFFFAOYSA-N
Compound name
2-(3-benzamidophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0855 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09278 178.7
[M+Na]+ 374.07472 185.6
[M-H]- 350.07822 182.7
[M+NH4]+ 369.11932 185.7
[M+K]+ 390.04866 180.1
[M+H-H2O]+ 334.08276 168.6
[M+HCOO]- 396.08370 196.2
[M+CH3COO]- 410.09935 208.5
[M+Na-2H]- 372.06017 181.5
[M]+ 351.08495 176.5
[M]- 351.08605 176.5
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.