CID 3047289

Vufb-10,582

Structural Information

Molecular Formula
C26H50N2O3
SMILES
CCCCCCCCCC(=O)N1CCN(CC1)CCOC(=O)CCCCCCCCC
InChI
InChI=1S/C26H50N2O3/c1-3-5-7-9-11-13-15-17-25(29)28-21-19-27(20-22-28)23-24-31-26(30)18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
ALPNPGVHCIWBHY-UHFFFAOYSA-N
Compound name
2-(4-decanoylpiperazin-1-yl)ethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.38214 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.389416 219.9
[M+Na]+ 461.371358 217.9
[M-H]- 437.374864 216.6
[M+NH4]+ 456.415963 226.3
[M+K]+ 477.345298 213.6
[M+H-H2O]+ 421.379400 209.2
[M+HCOO]- 483.380341 230.8
[M+CH3COO]- 497.395991 234.0
[M+Na-2H]- 459.356806 213.3
[M]+ 438.38159142 224.6
[M]- 438.38268858 224.6
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.