CID 121329

1060-82-8

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

literature stripe

Patent stripe

patents stripe