CID 218425

40576-27-0

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]+ 423.36938 211.9
[M+Na]+ 445.35132 208.5
[M-H]- 421.35482 214.8
[M+NH4]+ 440.39592 219.2
[M+K]+ 461.32526 207.1
[M+H-H2O]+ 405.35936 200.5
[M+HCOO]- 467.36030 223.4
[M+CH3COO]- 481.37595 241.1
[M+Na-2H]- 443.33677 204.9
[M]+ 422.36155 208.9
[M]- 422.36265 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.