CID 218425

Nipecotamide, n,n'-ethylenebis(n-butyl-1-methyl-

Structural Information

Molecular Formula
C24H46N4O2
SMILES
CCCCN(CCN(CCCC)C(=O)C1CCCN(C1)C)C(=O)C2CCCN(C2)C
InChI
InChI=1S/C24H46N4O2/c1-5-7-15-27(23(29)21-11-9-13-25(3)19-21)17-18-28(16-8-6-2)24(30)22-12-10-14-26(4)20-22/h21-22H,5-20H2,1-4H3
InChIKey
QAKLXTVKAMEHKP-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-[butyl-(1-methylpiperidine-3-carbonyl)amino]ethyl]-1-methylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.3621 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.369376 211.9
[M+Na]+ 445.351318 208.5
[M-H]- 421.354824 214.8
[M+NH4]+ 440.395923 219.2
[M+K]+ 461.325258 207.1
[M+H-H2O]+ 405.359360 200.5
[M+HCOO]- 467.360301 223.4
[M+CH3COO]- 481.375951 241.1
[M+Na-2H]- 443.336766 204.9
[M]+ 422.36155142 208.9
[M]- 422.36264858 208.9
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.