CID 5361778

7-hydroxy-4-methyl-3-(3-pyridyl)coumarin hydrochloride

Structural Information

Molecular Formula
C15H11NO3
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CN=CC=C3
InChI
InChI=1S/C15H11NO3/c1-9-12-5-4-11(17)7-13(12)19-15(18)14(9)10-3-2-6-16-8-10/h2-8,17H,1H3
InChIKey
LGLDLPCKXAYQLE-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-3-pyridin-3-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 154.2
[M+Na]+ 276.06312 171.8
[M+NH4]+ 271.10772 162.8
[M+K]+ 292.03706 164.3
[M-H]- 252.06662 160.1
[M+Na-2H]- 274.04857 163.3
[M]+ 253.07335 158.6
[M]- 253.07445 158.6
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.