CID 466867

But-3-enyl 3-cyano-3h-benzo[f]quinoline-4-carboxylate

Structural Information

Molecular Formula
C19H16N2O2
SMILES
C=CCCOC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C19H16N2O2/c1-2-3-12-23-19(22)21-15(13-20)9-10-17-16-7-5-4-6-14(16)8-11-18(17)21/h2,4-11,15H,1,3,12H2
InChIKey
FZOJVNFNGVGGKO-UHFFFAOYSA-N
Compound name
but-3-enyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 174.4
[M+Na]+ 327.11042 184.8
[M-H]- 303.11392 176.7
[M+NH4]+ 322.15502 188.3
[M+K]+ 343.08436 176.2
[M+H-H2O]+ 287.11846 159.8
[M+HCOO]- 349.11940 188.9
[M+CH3COO]- 363.13505 215.7
[M+Na-2H]- 325.09587 178.4
[M]+ 304.12065 170.4
[M]- 304.12175 170.4
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.