CID 8022631

97515-38-3

Structural Information

Molecular Formula
C15H14N2O6
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NCC(=O)O
InChI
InChI=1S/C15H14N2O6/c1-2-17-6-9(15(21)16-5-13(18)19)14(20)8-3-11-12(4-10(8)17)23-7-22-11/h3-4,6H,2,5,7H2,1H3,(H,16,21)(H,18,19)
InChIKey
YSOKVLTWXDZSLT-UHFFFAOYSA-N
Compound name
2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.08517 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.092446 168.8
[M+Na]+ 341.074388 177.2
[M-H]- 317.077894 173.5
[M+NH4]+ 336.118993 182.1
[M+K]+ 357.048328 176.6
[M+H-H2O]+ 301.082430 162.2
[M+HCOO]- 363.083371 186.2
[M+CH3COO]- 377.099021 207.4
[M+Na-2H]- 339.059836 173.2
[M]+ 318.08462142 173.8
[M]- 318.08571858 173.8
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.