CID 98147

2-cyano-3-(3,4-dihydro-2h-quinolin-1-yl)-acrylic acid ethyl ester

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCOC(=O)C(=CN1CCCC2=CC=CC=C21)C#N
InChI
InChI=1S/C15H16N2O2/c1-2-19-15(18)13(10-16)11-17-9-5-7-12-6-3-4-8-14(12)17/h3-4,6,8,11H,2,5,7,9H2,1H3
InChIKey
CQQPOEPVLMKPHG-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 160.3
[M+Na]+ 279.110418 167.9
[M-H]- 255.113924 161.6
[M+NH4]+ 274.155023 174.7
[M+K]+ 295.084358 162.6
[M+H-H2O]+ 239.118460 146.3
[M+HCOO]- 301.119401 174.2
[M+CH3COO]- 315.135051 206.0
[M+Na-2H]- 277.095866 163.1
[M]+ 256.12065142 153.9
[M]- 256.12174858 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.