CID 267438

Ethyl 3-cyanobenzo[f]quinoline-4(3h)-carboxylate

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CCOC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C17H14N2O2/c1-2-21-17(20)19-13(11-18)8-9-15-14-6-4-3-5-12(14)7-10-16(15)19/h3-10,13H,2H2,1H3
InChIKey
UDUPQJFRNMDWRK-UHFFFAOYSA-N
Compound name
ethyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 166.4
[M+Na]+ 301.09475 177.3
[M-H]- 277.09825 169.0
[M+NH4]+ 296.13935 181.4
[M+K]+ 317.06869 169.7
[M+H-H2O]+ 261.10279 152.1
[M+HCOO]- 323.10373 181.3
[M+CH3COO]- 337.11938 176.1
[M+Na-2H]- 299.08020 171.4
[M]+ 278.10498 162.5
[M]- 278.10608 162.5
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.