CID 2733434

84254-97-7

Structural Information

Molecular Formula
C18H25N3
SMILES
C1CCN(CC1)C2(CCN(CC2)CC3=CC=CC=C3)C#N
InChI
InChI=1S/C18H25N3/c19-16-18(21-11-5-2-6-12-21)9-13-20(14-10-18)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-15H2
InChIKey
XXZATAXHOSMHKY-UHFFFAOYSA-N
Compound name
1-benzyl-4-piperidin-1-ylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

283.20483 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.21211 175.5
[M+Na]+ 306.19405 187.2
[M+NH4]+ 301.23865 181.8
[M+K]+ 322.16799 173.7
[M-H]- 282.19755 173.3
[M+Na-2H]- 304.17950 181.4
[M]+ 283.20428 175.8
[M]- 283.20538 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe