CID 5361779

67210-69-9

Structural Information

Molecular Formula
C20H13NO3
SMILES
C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)O)C4=CN=CC=C4
InChI
InChI=1S/C20H13NO3/c22-15-8-9-16-17(11-15)24-20(23)19(14-7-4-10-21-12-14)18(16)13-5-2-1-3-6-13/h1-12,22H
InChIKey
USXABZNQZQPEAX-UHFFFAOYSA-N
Compound name
7-hydroxy-4-phenyl-3-pyridin-3-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.08954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09682 172.8
[M+Na]+ 338.07876 182.9
[M-H]- 314.08226 182.2
[M+NH4]+ 333.12336 184.5
[M+K]+ 354.05270 177.7
[M+H-H2O]+ 298.08680 162.6
[M+HCOO]- 360.08774 192.9
[M+CH3COO]- 374.10339 184.4
[M+Na-2H]- 336.06421 180.2
[M]+ 315.08899 174.1
[M]- 315.09009 174.1
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.