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 158.9
[M+Na]+ 295.06892 166.8
[M-H]- 271.07242 162.0
[M+NH4]+ 290.11352 170.3
[M+K]+ 311.04286 163.2
[M+H-H2O]+ 255.07696 150.1
[M+HCOO]- 317.07790 173.7
[M+CH3COO]- 331.09355 169.4
[M+Na-2H]- 293.05437 164.7
[M]+ 272.07915 156.8
[M]- 272.08025 156.8
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.