CID 482265

2-oxopyrano[6,5-c]pyridin-4-yl benzoate

Structural Information

Molecular Formula
C15H9NO4
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=O)OC3=C2C=CN=C3
InChI
InChI=1S/C15H9NO4/c17-14-8-12(11-6-7-16-9-13(11)19-14)20-15(18)10-4-2-1-3-5-10/h1-9H
InChIKey
SDGBHTMZABFFJU-UHFFFAOYSA-N
Compound name
(2-oxopyrano[2,3-c]pyridin-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.05316 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06044 155.6
[M+Na]+ 290.04238 165.2
[M-H]- 266.04588 163.1
[M+NH4]+ 285.08698 170.0
[M+K]+ 306.01632 162.9
[M+H-H2O]+ 250.05042 146.8
[M+HCOO]- 312.05136 177.3
[M+CH3COO]- 326.06701 168.6
[M+Na-2H]- 288.02783 164.5
[M]+ 267.05261 159.2
[M]- 267.05371 159.2
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.