CID 3049320

2,6-dimethyl-alpha-2-propenyl-alpha-2-thienyl-1-piperidinebutanenitrile

Structural Information

Molecular Formula
C18H26N2S
SMILES
CC1CCCC(N1CCC(CC=C)(C#N)C2=CC=CS2)C
InChI
InChI=1S/C18H26N2S/c1-4-10-18(14-19,17-9-6-13-21-17)11-12-20-15(2)7-5-8-16(20)3/h4,6,9,13,15-16H,1,5,7-8,10-12H2,2-3H3
InChIKey
AOUMEOYSOVRZDS-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylpent-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.18167 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.188946 179.0
[M+Na]+ 325.170888 186.7
[M-H]- 301.174394 183.0
[M+NH4]+ 320.215493 193.8
[M+K]+ 341.144828 180.6
[M+H-H2O]+ 285.178930 165.3
[M+HCOO]- 347.179871 188.2
[M+CH3COO]- 361.195521 214.1
[M+Na-2H]- 323.156336 176.1
[M]+ 302.18112142 173.6
[M]- 302.18221858 173.6
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.