CID 15956636

Chembl205014

Structural Information

Molecular Formula
C16H19NO6
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)OC)COCCO
InChI
InChI=1S/C16H19NO6/c1-3-23-16(20)13-9-17(10-22-7-6-18)14-8-11(21-2)4-5-12(14)15(13)19/h4-5,8-9,18H,3,6-7,10H2,1-2H3
InChIKey
JVRVBLODGFVHRB-UHFFFAOYSA-N
Compound name
ethyl 1-(2-hydroxyethoxymethyl)-7-methoxy-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.12125 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12853 170.5
[M+Na]+ 344.11047 179.0
[M-H]- 320.11397 172.6
[M+NH4]+ 339.15507 184.2
[M+K]+ 360.08441 176.8
[M+H-H2O]+ 304.11851 162.6
[M+HCOO]- 366.11945 190.2
[M+CH3COO]- 380.13510 206.0
[M+Na-2H]- 342.09592 174.1
[M]+ 321.12070 178.4
[M]- 321.12180 178.4
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.