CID 3047287

Vufb-10,583

Structural Information

Molecular Formula
C27H52N2O3
SMILES
CCCCCCCCCC(=O)N1CCN(CC1)CCCOC(=O)CCCCCCCCC
InChI
InChI=1S/C27H52N2O3/c1-3-5-7-9-11-13-15-18-26(30)29-23-21-28(22-24-29)20-17-25-32-27(31)19-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKey
FMYTXMPYTNJIMY-UHFFFAOYSA-N
Compound name
3-(4-decanoylpiperazin-1-yl)propyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.3978 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.40508 224.1
[M+Na]+ 475.38702 221.6
[M-H]- 451.39052 220.6
[M+NH4]+ 470.43162 230.0
[M+K]+ 491.36096 217.1
[M+H-H2O]+ 435.39506 213.3
[M+HCOO]- 497.39600 234.7
[M+CH3COO]- 511.41165 236.9
[M+Na-2H]- 473.37247 217.0
[M]+ 452.39725 229.2
[M]- 452.39835 229.2
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

patents stripe