CID 466921

2-phenoxyethyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C19H16N2O3
SMILES
C1=CC=C(C=C1)OCCOC(=O)N2C(C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C19H16N2O3/c20-14-16-11-10-15-6-4-5-9-18(15)21(16)19(22)24-13-12-23-17-7-2-1-3-8-17/h1-11,16H,12-13H2
InChIKey
WVEKPULPQVKCFC-UHFFFAOYSA-N
Compound name
2-phenoxyethyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.1161 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 176.9
[M+Na]+ 343.10532 185.8
[M-H]- 319.10882 180.6
[M+NH4]+ 338.14992 188.5
[M+K]+ 359.07926 178.8
[M+H-H2O]+ 303.11336 161.0
[M+HCOO]- 365.11430 192.7
[M+CH3COO]- 379.12995 215.6
[M+Na-2H]- 341.09077 180.8
[M]+ 320.11555 173.1
[M]- 320.11665 173.1
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.