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]+ 257.12848 160.3
[M+Na]+ 279.11042 167.9
[M-H]- 255.11392 161.6
[M+NH4]+ 274.15502 174.7
[M+K]+ 295.08436 162.6
[M+H-H2O]+ 239.11846 146.3
[M+HCOO]- 301.11940 174.2
[M+CH3COO]- 315.13505 206.0
[M+Na-2H]- 277.09587 163.1
[M]+ 256.12065 153.9
[M]- 256.12175 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.