CID 110957

Pey-1401

Structural Information

Molecular Formula
C22H42N4O2
SMILES
CCCCN(CCN(CCCC)C(=O)N1CCCCC1)C(=O)N2CCCCC2
InChI
InChI=1S/C22H42N4O2/c1-3-5-13-25(21(27)23-15-9-7-10-16-23)19-20-26(14-6-4-2)22(28)24-17-11-8-12-18-24/h3-20H2,1-2H3
InChIKey
DICMPTSIFYQYRL-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-[butyl(piperidine-1-carbonyl)amino]ethyl]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.33078 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.33806 203.6
[M+Na]+ 417.32000 199.2
[M-H]- 393.32350 206.1
[M+NH4]+ 412.36460 211.5
[M+K]+ 433.29394 198.2
[M+H-H2O]+ 377.32804 191.9
[M+HCOO]- 439.32898 215.8
[M+CH3COO]- 453.34463 231.5
[M+Na-2H]- 415.30545 198.9
[M]+ 394.33023 198.9
[M]- 394.33133 198.9
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.