CID 3073827

153004-50-3

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1C(C2=CC=CC=C2OC1C(=O)O)C3=CN=CNC3=O
InChI
InChI=1S/C14H12N2O4/c17-13-10(6-15-7-16-13)9-5-12(14(18)19)20-11-4-2-1-3-8(9)11/h1-4,6-7,9,12H,5H2,(H,18,19)(H,15,16,17)
InChIKey
IXRJZXKZTLDKTA-UHFFFAOYSA-N
Compound name
4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0797 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 159.5
[M+Na]+ 295.06892 173.3
[M+NH4]+ 290.11352 165.8
[M+K]+ 311.04286 168.2
[M-H]- 271.07242 162.5
[M+Na-2H]- 293.05437 165.1
[M]+ 272.07915 162.1
[M]- 272.08025 162.1
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.