CID 68089

Neocinchophen

Structural Information

Molecular Formula
C19H17NO2
SMILES
CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO2/c1-3-22-19(21)16-12-18(14-7-5-4-6-8-14)20-17-10-9-13(2)11-15(16)17/h4-12H,3H2,1-2H3
InChIKey
BUDBHJPMAKXMLD-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

666
Patents

291.12592 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 168.6
[M+Na]+ 314.11514 177.0
[M-H]- 290.11864 175.0
[M+NH4]+ 309.15974 183.7
[M+K]+ 330.08908 172.2
[M+H-H2O]+ 274.12318 159.4
[M+HCOO]- 336.12412 189.2
[M+CH3COO]- 350.13977 204.2
[M+Na-2H]- 312.10059 173.7
[M]+ 291.12537 171.1
[M]- 291.12647 171.1
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