CID 135406925

A1ia6

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C15H10N2O4/c18-12-11(15(20)21)16-13(17-14(12)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,18H,(H,20,21)(H,16,17,19)
InChIKey
HQQIELXMZFSTOA-UHFFFAOYSA-N
Compound name
5-hydroxy-2-naphthalen-2-yl-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07134 161.3
[M+Na]+ 305.05328 171.0
[M-H]- 281.05678 163.4
[M+NH4]+ 300.09788 173.3
[M+K]+ 321.02722 165.1
[M+H-H2O]+ 265.06132 153.0
[M+HCOO]- 327.06226 177.9
[M+CH3COO]- 341.07791 172.0
[M+Na-2H]- 303.03873 166.8
[M]+ 282.06351 160.3
[M]- 282.06461 160.3
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.