CID 109289

68310-10-1

Structural Information

Molecular Formula
C50H96N2O6
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)O)CC(C)OC(=O)CCCCCCCC=CCCCCCCCC
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)43-52(40-39-51(41-45(3)53)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
ZETNFZUQZMBACZ-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-octadec-9-enoyloxypropyl)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 308.3
[M+Na]+ 843.71609 316.6
[M-H]- 819.71959 303.5
[M+NH4]+ 838.76069 319.8
[M+K]+ 859.69003 323.6
[M+H-H2O]+ 803.72413 309.3
[M+HCOO]- 865.72507 292.1
[M+CH3COO]- 879.74072 312.6
[M+Na-2H]- 841.70154 290.1
[M]+ 820.72632 306.0
[M]- 820.72742 306.0
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.