CID 3073317

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

Structural Information

Molecular Formula
C16H13NO2
SMILES
CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=N3)C
InChI
InChI=1S/C16H13NO2/c1-10-5-6-12(8-11(10)2)15-9-13(18)16-14(19-15)4-3-7-17-16/h3-9H,1-2H3
InChIKey
GKGUFTVGINZIAL-UHFFFAOYSA-N
Compound name
2-(3,4-dimethylphenyl)pyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 154.8
[M+Na]+ 274.08386 173.2
[M+NH4]+ 269.12846 164.2
[M+K]+ 290.05780 164.6
[M-H]- 250.08736 161.6
[M+Na-2H]- 272.06931 164.7
[M]+ 251.09409 159.7
[M]- 251.09519 159.7
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.