CID 109290

68310-11-2

Structural Information

Molecular Formula
C50H96N2O6
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)OC(=O)CCCCCCCC=CCCCCCCCC)CC(C)O
InChI
InChI=1S/C50H96N2O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-49(55)57-47(5)43-51(41-45(3)53)39-40-52(42-46(4)54)44-48(6)58-50(56)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h21-24,45-48,53-54H,7-20,25-44H2,1-6H3
InChIKey
JLOVJSAKNJGLQY-UHFFFAOYSA-N
Compound name
1-[2-hydroxypropyl-[2-[2-hydroxypropyl(2-octadec-9-enoyloxypropyl)amino]ethyl]amino]propan-2-yl octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

820.72687 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 821.73415 317.7
[M+Na]+ 843.71609 322.0
[M+NH4]+ 838.76069 324.3
[M+K]+ 859.69003 323.6
[M-H]- 819.71959 310.9
[M+Na-2H]- 841.70154 315.5
[M]+ 820.72632 317.7
[M]- 820.72742 317.7
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.