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]+ 277.09715 166.8
[M+Na]+ 299.07909 176.8
[M-H]- 275.08259 171.0
[M+NH4]+ 294.12369 180.3
[M+K]+ 315.05303 169.5
[M+H-H2O]+ 259.08713 151.5
[M+HCOO]- 321.08807 183.1
[M+CH3COO]- 335.10372 176.4
[M+Na-2H]- 297.06454 171.6
[M]+ 276.08932 161.2
[M]- 276.09042 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.