CID 15956629

Chembl380836

Structural Information

Molecular Formula
C16H19NO5
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=C(C=C2)C)COCCO
InChI
InChI=1S/C16H19NO5/c1-3-22-16(20)13-9-17(10-21-7-6-18)14-5-4-11(2)8-12(14)15(13)19/h4-5,8-9,18H,3,6-7,10H2,1-2H3
InChIKey
HUXQGFOOPRIESE-UHFFFAOYSA-N
Compound name
ethyl 1-(2-hydroxyethoxymethyl)-6-methyl-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1263 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 168.1
[M+Na]+ 328.11552 176.8
[M-H]- 304.11902 170.2
[M+NH4]+ 323.16012 182.5
[M+K]+ 344.08946 173.9
[M+H-H2O]+ 288.12356 160.4
[M+HCOO]- 350.12450 187.6
[M+CH3COO]- 364.14015 203.8
[M+Na-2H]- 326.10097 171.5
[M]+ 305.12575 174.5
[M]- 305.12685 174.5
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.