CID 5702839

7-hydroxy-4-(4-pyridyl)coumarin

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=NC=C3
InChI
InChI=1S/C14H9NO3/c16-10-1-2-11-12(9-3-5-15-6-4-9)8-14(17)18-13(11)7-10/h1-8,16H
InChIKey
PTBKPYBPJZBSMP-UHFFFAOYSA-N
Compound name
7-hydroxy-4-pyridin-4-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.065516 149.3
[M+Na]+ 262.047458 160.0
[M-H]- 238.050964 155.9
[M+NH4]+ 257.092063 164.7
[M+K]+ 278.021398 156.5
[M+H-H2O]+ 222.055500 141.2
[M+HCOO]- 284.056441 170.5
[M+CH3COO]- 298.072091 162.6
[M+Na-2H]- 260.032906 158.6
[M]+ 239.05769142 151.1
[M]- 239.05878858 151.1
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

patents stripe