CID 3075656

Ethyl alpha-cyano-4-(1-piperidinylcarbonyl)-2-quinolineacetate

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CCOC(=O)C(C#N)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCCCC3
InChI
InChI=1S/C20H21N3O3/c1-2-26-20(25)16(13-21)18-12-15(14-8-4-5-9-17(14)22-18)19(24)23-10-6-3-7-11-23/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3
InChIKey
HPHZSQDAPRADKK-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-[4-(piperidine-1-carbonyl)quinolin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 186.5
[M+Na]+ 374.14752 197.3
[M+NH4]+ 369.19212 189.1
[M+K]+ 390.12146 188.0
[M-H]- 350.15102 181.1
[M+Na-2H]- 372.13297 188.2
[M]+ 351.15775 185.4
[M]- 351.15885 185.4
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.