CID 3047503

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

Structural Information

Molecular Formula
C14H9NO2
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=N3
InChI
InChI=1S/C14H9NO2/c16-11-9-13(10-5-2-1-3-6-10)17-12-7-4-8-15-14(11)12/h1-9H
InChIKey
QANSPIIVTXREPO-UHFFFAOYSA-N
Compound name
2-phenylpyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.06332 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07060 145.4
[M+Na]+ 246.05254 155.8
[M-H]- 222.05604 153.0
[M+NH4]+ 241.09714 161.9
[M+K]+ 262.02648 152.5
[M+H-H2O]+ 206.06058 137.1
[M+HCOO]- 268.06152 168.0
[M+CH3COO]- 282.07717 159.2
[M+Na-2H]- 244.03799 155.9
[M]+ 223.06277 147.2
[M]- 223.06387 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe