CID 44151369

Einecs 281-551-6

Structural Information

Molecular Formula
C65H129N2O7
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCN(CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO
InChI
InChI=1S/C65H129N2O7/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-63(69)72-60-55-66(54-59-68)53-56-67(4,57-61-73-64(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-62-74-65(71)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h68H,5-62H2,1-4H3/q+1
InChIKey
VTLBSCNSOLPWAF-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]ethyl-methyl-bis(2-octadecanoyloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1049.98 Da
Monoisotopic Mass

24.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1050.9873 329.4
[M+Na]+ 1072.9692 331.9
[M+NH4]+ 1068.0138 334.5
[M+K]+ 1088.9432 333.3
[M-H]- 1048.9727 312.9
[M+Na-2H]- 1070.9547 323.8
[M]+ 1049.9795 326.9
[M]- 1049.9805 326.9
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.