CID 135434271

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

Structural Information

Molecular Formula
C17H13N3O4
SMILES
C1=CC=C(C=C1)NC2=CC=CC=C2C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C17H13N3O4/c21-14-13(17(23)24)19-15(20-16(14)22)11-8-4-5-9-12(11)18-10-6-2-1-3-7-10/h1-9,18,21H,(H,23,24)(H,19,20,22)
InChIKey
OPVCAZPIFGBTGN-UHFFFAOYSA-N
Compound name
2-(2-anilinophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09788 172.7
[M+Na]+ 346.07982 180.3
[M-H]- 322.08332 176.7
[M+NH4]+ 341.12442 181.1
[M+K]+ 362.05376 174.1
[M+H-H2O]+ 306.08786 162.8
[M+HCOO]- 368.08880 191.1
[M+CH3COO]- 382.10445 203.5
[M+Na-2H]- 344.06527 177.0
[M]+ 323.09005 170.2
[M]- 323.09115 170.2
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.