CID 168118

23525-20-4

Structural Information

Molecular Formula
C64H126N2O7
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(CCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO
InChI
InChI=1S/C64H126N2O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-62(68)71-59-55-65(54-58-67)52-53-66(56-60-72-63(69)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-61-73-64(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h67H,4-61H2,1-3H3
InChIKey
ZBVDHDQYDKHVEN-UHFFFAOYSA-N
Compound name
2-[2-[bis(2-octadecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1034.9565 Da
Monoisotopic Mass

24.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1035.9638 363.6
[M+Na]+ 1057.9457 365.7
[M+NH4]+ 1052.9903 368.6
[M+K]+ 1073.9197 370.5
[M-H]- 1033.9492 348.1
[M+Na-2H]- 1055.9312 355.8
[M]+ 1034.9560 361.5
[M]- 1034.9570 361.5
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.