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]+ 293.12848 171.3
[M+Na]+ 315.11042 181.5
[M-H]- 291.11392 173.9
[M+NH4]+ 310.15502 185.7
[M+K]+ 331.08436 174.2
[M+H-H2O]+ 275.11846 157.1
[M+HCOO]- 337.11940 185.0
[M+CH3COO]- 351.13505 214.5
[M+Na-2H]- 313.09587 174.7
[M]+ 292.12065 167.2
[M]- 292.12175 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.