CID 3073318

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

Structural Information

Molecular Formula
C16H13NO2
SMILES
CCC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=N3
InChI
InChI=1S/C16H13NO2/c1-2-11-5-7-12(8-6-11)15-10-13(18)16-14(19-15)4-3-9-17-16/h3-10H,2H2,1H3
InChIKey
IEOUOJFAHSLLMZ-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)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 155.2
[M+Na]+ 274.08386 165.6
[M-H]- 250.08736 162.7
[M+NH4]+ 269.12846 170.8
[M+K]+ 290.05780 161.8
[M+H-H2O]+ 234.09190 146.5
[M+HCOO]- 296.09284 177.0
[M+CH3COO]- 310.10849 168.4
[M+Na-2H]- 272.06931 163.8
[M]+ 251.09409 158.0
[M]- 251.09519 158.0
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.