CID 3049323

64647-42-3

Structural Information

Molecular Formula
C17H26N2S
SMILES
CC1CCN(CC1)CCC(C#N)(C2=CC=CS2)C(C)C
InChI
InChI=1S/C17H26N2S/c1-14(2)17(13-18,16-5-4-12-20-16)8-11-19-9-6-15(3)7-10-19/h4-5,12,14-15H,6-11H2,1-3H3
InChIKey
ZEBXXZORKPYONG-UHFFFAOYSA-N
Compound name
3-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-2-thiophen-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.18167 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18895 166.9
[M+Na]+ 313.17089 175.9
[M+NH4]+ 308.21549 171.9
[M+K]+ 329.14483 166.4
[M-H]- 289.17439 162.3
[M+Na-2H]- 311.15634 169.1
[M]+ 290.18112 166.5
[M]- 290.18222 166.5
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.