CID 9860695

7,8-dihydroxy-3-methyl-10-oxo-10h-chromeno[3,2-c]pyridine-9-carboxylic acid

Structural Information

Molecular Formula
C14H9NO6
SMILES
CC1=CC2=C(C=N1)C(=O)C3=C(O2)C=C(C(=C3C(=O)O)O)O
InChI
InChI=1S/C14H9NO6/c1-5-2-8-6(4-15-5)12(17)10-9(21-8)3-7(16)13(18)11(10)14(19)20/h2-4,16,18H,1H3,(H,19,20)
InChIKey
JQSDDXAUCUZICT-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-3-methyl-10-oxochromeno[3,2-c]pyridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.043 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05028 160.0
[M+Na]+ 310.03222 175.4
[M+NH4]+ 305.07682 165.9
[M+K]+ 326.00616 171.2
[M-H]- 286.03572 161.6
[M+Na-2H]- 308.01767 163.8
[M]+ 287.04245 162.6
[M]- 287.04355 162.6
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.