CID 466858

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

Structural Information

Molecular Formula
C16H12N2O2
SMILES
COC(=O)N1C(C=CC2=C1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C16H12N2O2/c1-20-16(19)18-12(10-17)7-8-14-13-5-3-2-4-11(13)6-9-15(14)18/h2-9,12H,1H3
InChIKey
FPZUZCPRGLWPSU-UHFFFAOYSA-N
Compound name
methyl 3-cyano-3H-benzo[f]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.08987 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 162.3
[M+Na]+ 287.07909 173.7
[M-H]- 263.08259 165.2
[M+NH4]+ 282.12369 177.8
[M+K]+ 303.05303 166.3
[M+H-H2O]+ 247.08713 148.3
[M+HCOO]- 309.08807 177.6
[M+CH3COO]- 323.10372 172.5
[M+Na-2H]- 285.06454 167.8
[M]+ 264.08932 158.1
[M]- 264.09042 158.1
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.