CID 466859

Propyl 3-cyano-3h-benzo[f]quinoline-4-carboxylate

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CCCOC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C18H16N2O2/c1-2-11-22-18(21)20-14(12-19)8-9-16-15-6-4-3-5-13(15)7-10-17(16)20/h3-10,14H,2,11H2,1H3
InChIKey
MBIRHJGUXPQYIV-UHFFFAOYSA-N
Compound name
propyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.1212 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 170.4
[M+Na]+ 315.110418 180.9
[M-H]- 291.113924 172.9
[M+NH4]+ 310.155023 184.8
[M+K]+ 331.084358 173.1
[M+H-H2O]+ 275.118460 155.9
[M+HCOO]- 337.119401 185.0
[M+CH3COO]- 351.135051 179.8
[M+Na-2H]- 313.095866 174.9
[M]+ 292.12065142 166.8
[M]- 292.12174858 166.8
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.