CID 288257

Phenyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C17H12N2O2
SMILES
C1=CC=C(C=C1)OC(=O)N2C(C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C17H12N2O2/c18-12-14-11-10-13-6-4-5-9-16(13)19(14)17(20)21-15-7-2-1-3-8-15/h1-11,14H
InChIKey
JFWWEBYJFNRKAL-UHFFFAOYSA-N
Compound name
phenyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.08987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.097146 166.8
[M+Na]+ 299.079088 176.8
[M-H]- 275.082594 171.0
[M+NH4]+ 294.123693 180.3
[M+K]+ 315.053028 169.5
[M+H-H2O]+ 259.087130 151.5
[M+HCOO]- 321.088071 183.1
[M+CH3COO]- 335.103721 176.4
[M+Na-2H]- 297.064536 171.6
[M]+ 276.08932142 161.2
[M]- 276.09041858 161.2
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.