CID 3073321

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

Structural Information

Molecular Formula
C14H8N2O4
SMILES
C1=CC2=C(C(=O)C=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])N=C1
InChI
InChI=1S/C14H8N2O4/c17-11-8-13(20-12-2-1-7-15-14(11)12)9-3-5-10(6-4-9)16(18)19/h1-8H
InChIKey
WEHCTCXSXRLXTN-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)pyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05568 154.0
[M+Na]+ 291.03762 171.7
[M+NH4]+ 286.08222 162.4
[M+K]+ 307.01156 167.0
[M-H]- 267.04112 161.2
[M+Na-2H]- 289.02307 163.4
[M]+ 268.04785 158.7
[M]- 268.04895 158.7
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.

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No patent data available for this compound.