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 237.1
[M+Na]+ 529.44518 231.0
[M-H]- 505.44868 238.6
[M+NH4]+ 524.48978 240.8
[M+K]+ 545.41912 228.3
[M+H-H2O]+ 489.45322 224.6
[M+HCOO]- 551.45416 246.5
[M+CH3COO]- 565.46981 258.4
[M+Na-2H]- 527.43063 227.2
[M]+ 506.45541 236.2
[M]- 506.45651 236.2
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.