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 168.8
[M+Na]+ 341.07439 177.2
[M-H]- 317.07789 173.5
[M+NH4]+ 336.11899 182.1
[M+K]+ 357.04833 176.6
[M+H-H2O]+ 301.08243 162.2
[M+HCOO]- 363.08337 186.2
[M+CH3COO]- 377.09902 207.4
[M+Na-2H]- 339.05984 173.2
[M]+ 318.08462 173.8
[M]- 318.08572 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.