CID 14714

Butyronitrile, 2-phenyl-4-piperidino-2-(2-piperidinoethyl)-

Structural Information

Molecular Formula
C22H33N3
SMILES
C1CCN(CC1)CCC(CCN2CCCCC2)(C#N)C3=CC=CC=C3
InChI
InChI=1S/C22H33N3/c23-20-22(21-10-4-1-5-11-21,12-18-24-14-6-2-7-15-24)13-19-25-16-8-3-9-17-25/h1,4-5,10-11H,2-3,6-9,12-19H2
InChIKey
HALDFVMYDWCMAP-UHFFFAOYSA-N
Compound name
2-phenyl-4-piperidin-1-yl-2-(2-piperidin-1-ylethyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.26746 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.27474 183.7
[M+Na]+ 362.25668 185.6
[M-H]- 338.26018 185.4
[M+NH4]+ 357.30128 191.6
[M+K]+ 378.23062 177.6
[M+H-H2O]+ 322.26472 166.0
[M+HCOO]- 384.26566 191.1
[M+CH3COO]- 398.28131 219.9
[M+Na-2H]- 360.24213 184.4
[M]+ 339.26691 170.2
[M]- 339.26801 170.2
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.