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]+ 303.18895 170.8
[M+Na]+ 325.17089 180.2
[M+NH4]+ 320.21549 175.4
[M+K]+ 341.14483 169.8
[M-H]- 301.17439 166.0
[M+Na-2H]- 323.15634 172.7
[M]+ 302.18112 170.4
[M]- 302.18222 170.4
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.