CID 613604

Ethyl 4-hydroxybenzo[h]quinoline-3-carboxylate

Structural Information

Molecular Formula
C16H13NO3
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=CC3=CC=CC=C32
InChI
InChI=1S/C16H13NO3/c1-2-20-16(19)13-9-17-14-11-6-4-3-5-10(11)7-8-12(14)15(13)18/h3-9H,2H2,1H3,(H,17,18)
InChIKey
BAQQTXLPROBUPE-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-1H-benzo[h]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

267.08954 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 157.4
[M+Na]+ 290.07876 168.0
[M-H]- 266.08226 161.0
[M+NH4]+ 285.12336 174.2
[M+K]+ 306.05270 162.8
[M+H-H2O]+ 250.08680 149.8
[M+HCOO]- 312.08774 177.8
[M+CH3COO]- 326.10339 169.8
[M+Na-2H]- 288.06421 165.5
[M]+ 267.08899 160.7
[M]- 267.09009 160.7
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

patents stripe