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]+ 265.097146 162.3
[M+Na]+ 287.079088 173.7
[M-H]- 263.082594 165.2
[M+NH4]+ 282.123693 177.8
[M+K]+ 303.053028 166.3
[M+H-H2O]+ 247.087130 148.3
[M+HCOO]- 309.088071 177.6
[M+CH3COO]- 323.103721 172.5
[M+Na-2H]- 285.064536 167.8
[M]+ 264.08932142 158.1
[M]- 264.09041858 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.