CID 466864

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

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC(C)OC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C18H16N2O2/c1-12(2)22-18(21)20-14(11-19)8-9-16-15-6-4-3-5-13(15)7-10-17(16)20/h3-10,12,14H,1-2H3
InChIKey
FLOBOVKJURCVBO-UHFFFAOYSA-N
Compound name
propan-2-yl 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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 171.3
[M+Na]+ 315.110418 181.5
[M-H]- 291.113924 173.9
[M+NH4]+ 310.155023 185.7
[M+K]+ 331.084358 174.2
[M+H-H2O]+ 275.118460 157.1
[M+HCOO]- 337.119401 185.0
[M+CH3COO]- 351.135051 214.5
[M+Na-2H]- 313.095866 174.7
[M]+ 292.12065142 167.2
[M]- 292.12174858 167.2
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.