CID 466866

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

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C=CCOC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C18H14N2O2/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/h2-10,14H,1,11H2
InChIKey
UHERQXCWLABHOD-UHFFFAOYSA-N
Compound name
prop-2-enyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.112806 170.4
[M+Na]+ 313.094748 181.2
[M-H]- 289.098254 172.9
[M+NH4]+ 308.139353 184.9
[M+K]+ 329.068688 172.8
[M+H-H2O]+ 273.102790 156.0
[M+HCOO]- 335.103731 185.2
[M+CH3COO]- 349.119381 179.8
[M+Na-2H]- 311.080196 174.8
[M]+ 290.10498142 166.2
[M]- 290.10607858 166.2
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.