CID 5361778

Coumarin, 7-hydroxy-4-methyl-3-(3-pyridyl)-, 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]+ 254.081176 154.3
[M+Na]+ 276.063118 165.5
[M-H]- 252.066624 161.1
[M+NH4]+ 271.107723 169.4
[M+K]+ 292.037058 161.8
[M+H-H2O]+ 236.071160 146.2
[M+HCOO]- 298.072101 175.1
[M+CH3COO]- 312.087751 167.5
[M+Na-2H]- 274.048566 162.3
[M]+ 253.07335142 156.9
[M]- 253.07444858 156.9
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.