CID 121331

1063-46-3

Structural Information

Molecular Formula
C30H58N4O2
SMILES
CCN(CC)C(=O)C1CCCN(C1)CCCCCCCCCCN2CCCC(C2)C(=O)N(CC)CC
InChI
InChI=1S/C30H58N4O2/c1-5-33(6-2)29(35)27-19-17-23-31(25-27)21-15-13-11-9-10-12-14-16-22-32-24-18-20-28(26-32)30(36)34(7-3)8-4/h27-28H,5-26H2,1-4H3
InChIKey
VUAPWEZMELHKGR-UHFFFAOYSA-N
Compound name
1-[10-[3-(diethylcarbamoyl)piperidin-1-yl]decyl]-N,N-diethylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

506.45596 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.46324 234.7
[M+Na]+ 529.44518 238.2
[M+NH4]+ 524.48978 237.9
[M+K]+ 545.41912 231.5
[M-H]- 505.44868 236.4
[M+Na-2H]- 527.43063 233.9
[M]+ 506.45541 235.0
[M]- 506.45651 235.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe