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 202.5
[M+Na]+ 417.32000 198.4
[M-H]- 393.32350 203.5
[M+NH4]+ 412.36460 209.5
[M+K]+ 433.29394 195.0
[M+H-H2O]+ 377.32804 189.7
[M+HCOO]- 439.32898 208.9
[M+CH3COO]- 453.34463 221.6
[M+Na-2H]- 415.30545 199.5
[M]+ 394.33023 191.6
[M]- 394.33133 191.6
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.