CID 265200

6-methoxycinchophen, ethyl ester

Structural Information

Molecular Formula
C19H17NO3
SMILES
CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO3/c1-3-23-19(21)16-12-18(13-7-5-4-6-8-13)20-17-10-9-14(22-2)11-15(16)17/h4-12H,3H2,1-2H3
InChIKey
KVQSBNFCXUBTDR-UHFFFAOYSA-N
Compound name
ethyl 6-methoxy-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.9
[M+Na]+ 330.11007 180.1
[M-H]- 306.11357 178.2
[M+NH4]+ 325.15467 186.2
[M+K]+ 346.08401 175.9
[M+H-H2O]+ 290.11811 162.4
[M+HCOO]- 352.11905 192.6
[M+CH3COO]- 366.13470 206.3
[M+Na-2H]- 328.09552 177.0
[M]+ 307.12030 175.7
[M]- 307.12140 175.7
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.