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]+ 252.101916 155.3
[M+Na]+ 274.083858 166.6
[M-H]- 250.087364 163.3
[M+NH4]+ 269.128463 171.3
[M+K]+ 290.057798 162.9
[M+H-H2O]+ 234.091900 146.8
[M+HCOO]- 296.092841 177.1
[M+CH3COO]- 310.108491 168.9
[M+Na-2H]- 272.069306 163.1
[M]+ 251.09409142 158.6
[M]- 251.09518858 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.