CID 163070

Einecs 265-353-7

Structural Information

Molecular Formula
C53H109N4O7
SMILES
CCCCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCN(CCN(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO)CCO)CCO
InChI
InChI=1S/C53H109N4O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(62)56(42-49-60)39-45-57(3,46-50-61)44-38-54(40-47-58)36-37-55(41-48-59)43-51-64-53(63)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h58-61H,4-51H2,1-3H3/q+1
InChIKey
LDZIYRICFNXHIB-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]ethyl]amino]ethyl]-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

913.82965 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 914.83693 335.7
[M+Na]+ 936.81887 340.1
[M-H]- 912.82237 331.2
[M+NH4]+ 931.86347 341.0
[M+K]+ 952.79281 345.5
[M+H-H2O]+ 896.82691 326.3
[M+HCOO]- 958.82785 323.3
[M+CH3COO]- 972.84350 324.3
[M+Na-2H]- 934.80432 311.9
[M]+ 913.82910 328.8
[M]- 913.83020 328.8
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.