CID 3073320

4h-pyrano(3,2-b)pyridin-4-one, 2-(4-methylphenyl)-

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=N3
InChI
InChI=1S/C15H11NO2/c1-10-4-6-11(7-5-10)14-9-12(17)15-13(18-14)3-2-8-16-15/h2-9H,1H3
InChIKey
PANVCTGKZQBRIG-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)pyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.4
[M+Na]+ 260.06820 161.3
[M-H]- 236.07170 158.2
[M+NH4]+ 255.11280 166.7
[M+K]+ 276.04214 157.8
[M+H-H2O]+ 220.07624 142.0
[M+HCOO]- 282.07718 172.6
[M+CH3COO]- 296.09283 164.1
[M+Na-2H]- 258.05365 159.6
[M]+ 237.07843 152.9
[M]- 237.07953 152.9
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.