CID 24842748

Piperidinepropanol, 2,2-bis(piperidinomethyl)-, methylcarbamate

Structural Information

Molecular Formula
C22H42N4O2
SMILES
CNC(=O)OCCCN1CCCCC1(CN2CCCCC2)CN3CCCCC3
InChI
InChI=1S/C22H42N4O2/c1-23-21(27)28-18-10-17-26-16-9-4-11-22(26,19-24-12-5-2-6-13-24)20-25-14-7-3-8-15-25/h2-20H2,1H3,(H,23,27)
InChIKey
AEVUBKYISAXCSV-UHFFFAOYSA-N
Compound name
3-[2,2-bis(piperidin-1-ylmethyl)piperidin-1-yl]propyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.33078 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33806 204.4
[M+Na]+ 417.32000 210.5
[M+NH4]+ 412.36460 211.1
[M+K]+ 433.29394 201.8
[M-H]- 393.32350 207.4
[M+Na-2H]- 415.30545 208.2
[M]+ 394.33023 205.7
[M]- 394.33133 205.7
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.