CID 16728054

4-(2,7-dimethyl-5-oxo-5a,9a-dihydrochromeno[2,3-b]pyridin-3-yl)-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C18H15NO6
SMILES
CC1=CC2C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)CC(=O)C(=O)O)C
InChI
InChI=1S/C18H15NO6/c1-8-3-4-15-11(5-8)16(22)12-6-10(9(2)19-17(12)25-15)13(20)7-14(21)18(23)24/h3-6,11,15H,7H2,1-2H3,(H,23,24)
InChIKey
JABBQOGQGITBHR-UHFFFAOYSA-N
Compound name
4-(2,7-dimethyl-5-oxo-5a,9a-dihydrochromeno[2,3-b]pyridin-3-yl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.08994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.09722 173.8
[M+Na]+ 364.07916 181.6
[M-H]- 340.08266 177.2
[M+NH4]+ 359.12376 185.7
[M+K]+ 380.05310 179.8
[M+H-H2O]+ 324.08720 166.2
[M+HCOO]- 386.08814 186.9
[M+CH3COO]- 400.10379 213.6
[M+Na-2H]- 362.06461 175.5
[M]+ 341.08939 176.8
[M]- 341.09049 176.8
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

No patent data available for this compound.