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]+ 293.12848 170.4
[M+Na]+ 315.11042 180.9
[M-H]- 291.11392 172.9
[M+NH4]+ 310.15502 184.8
[M+K]+ 331.08436 173.1
[M+H-H2O]+ 275.11846 155.9
[M+HCOO]- 337.11940 185.0
[M+CH3COO]- 351.13505 179.8
[M+Na-2H]- 313.09587 174.9
[M]+ 292.12065 166.8
[M]- 292.12175 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.