CID 15956621

Chembl383055

Structural Information

Molecular Formula
C14H15NO6
SMILES
COC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)O)COCCO
InChI
InChI=1S/C14H15NO6/c1-20-9-2-3-12-10(6-9)13(17)11(14(18)19)7-15(12)8-21-5-4-16/h2-3,6-7,16H,4-5,8H2,1H3,(H,18,19)
InChIKey
IZBGKENGDDDHJK-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.08994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09722 161.5
[M+Na]+ 316.07916 170.4
[M-H]- 292.08266 162.6
[M+NH4]+ 311.12376 175.5
[M+K]+ 332.05310 167.8
[M+H-H2O]+ 276.08720 154.2
[M+HCOO]- 338.08814 180.3
[M+CH3COO]- 352.10379 198.4
[M+Na-2H]- 314.06461 165.7
[M]+ 293.08939 167.0
[M]- 293.09049 167.0
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.