CID 121329

Dtxsid80909865

Structural Information

Molecular Formula
C26H50N4O2
SMILES
CCN(CC)C(=O)C1CCCN(C1)CCCCCCN2CCCC(C2)C(=O)N(CC)CC
InChI
InChI=1S/C26H50N4O2/c1-5-29(6-2)25(31)23-15-13-19-27(21-23)17-11-9-10-12-18-28-20-14-16-24(22-28)26(32)30(7-3)8-4/h23-24H,5-22H2,1-4H3
InChIKey
XVGYXHBKBUWARF-UHFFFAOYSA-N
Compound name
1-[6-[3-(diethylcarbamoyl)piperidin-1-yl]hexyl]-N,N-diethylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

450.39337 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.40065 220.4
[M+Na]+ 473.38259 216.1
[M-H]- 449.38609 222.8
[M+NH4]+ 468.42719 226.5
[M+K]+ 489.35653 214.2
[M+H-H2O]+ 433.39063 208.7
[M+HCOO]- 495.39157 231.2
[M+CH3COO]- 509.40722 246.9
[M+Na-2H]- 471.36804 212.4
[M]+ 450.39282 218.1
[M]- 450.39392 218.1
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.