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]+ 291.11281 170.4
[M+Na]+ 313.09475 181.2
[M-H]- 289.09825 172.9
[M+NH4]+ 308.13935 184.9
[M+K]+ 329.06869 172.8
[M+H-H2O]+ 273.10279 156.0
[M+HCOO]- 335.10373 185.2
[M+CH3COO]- 349.11938 179.8
[M+Na-2H]- 311.08020 174.8
[M]+ 290.10498 166.2
[M]- 290.10608 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.