CID 49593

Brn 1090479

Structural Information

Molecular Formula
C18H13NO6
SMILES
CC(=O)OC1=CC2=C(C=C(C(=O)O2)C3=CN=CC=C3)C(=C1)OC(=O)C
InChI
InChI=1S/C18H13NO6/c1-10(20)23-13-6-16(24-11(2)21)15-8-14(12-4-3-5-19-9-12)18(22)25-17(15)7-13/h3-9H,1-2H3
InChIKey
WPVQLOGAARNABC-UHFFFAOYSA-N
Compound name
(5-acetyloxy-2-oxo-3-pyridin-3-ylchromen-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.07428 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.08156 174.1
[M+Na]+ 362.06350 183.7
[M-H]- 338.06700 182.0
[M+NH4]+ 357.10810 185.7
[M+K]+ 378.03744 182.4
[M+H-H2O]+ 322.07154 164.7
[M+HCOO]- 384.07248 194.2
[M+CH3COO]- 398.08813 210.3
[M+Na-2H]- 360.04895 179.0
[M]+ 339.07373 181.0
[M]- 339.07483 181.0
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.