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]+ 319.09245 169.7
[M+Na]+ 341.07439 180.1
[M+NH4]+ 336.11899 174.6
[M+K]+ 357.04833 179.0
[M-H]- 317.07789 171.7
[M+Na-2H]- 339.05984 169.9
[M]+ 318.08462 171.3
[M]- 318.08572 171.3
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.