CID 103118

65060-28-8

Structural Information

Molecular Formula
C44H86N2O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H86N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(47)49-41-39-45-35-37-46(38-36-45)40-42-50-44(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChIKey
YMYSDWAKRPACFA-UHFFFAOYSA-N
Compound name
2-[4-(2-octadecanoyloxyethyl)piperazin-1-yl]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

706.65875 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.66603 280.8
[M+Na]+ 729.64797 288.6
[M-H]- 705.65147 264.3
[M+NH4]+ 724.69257 284.1
[M+K]+ 745.62191 288.9
[M+H-H2O]+ 689.65601 282.8
[M+HCOO]- 751.65695 290.4
[M+CH3COO]- 765.67260 285.9
[M+Na-2H]- 727.63342 262.7
[M]+ 706.65820 281.6
[M]- 706.65930 281.6
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

patents stripe