CID 131777276

Tg(a-25:0/22:0/i-24:0)[rac]

Structural Information

Molecular Formula
C74H144O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C74H144O6/c1-6-8-9-10-11-12-13-14-15-16-17-26-31-36-41-46-51-56-61-66-74(77)80-71(67-78-72(75)64-59-54-49-44-39-34-29-24-20-18-22-27-32-37-42-47-52-57-62-69(3)4)68-79-73(76)65-60-55-50-45-40-35-30-25-21-19-23-28-33-38-43-48-53-58-63-70(5)7-2/h69-71H,6-68H2,1-5H3/t70?,71-/m0/s1
InChIKey
MFRDDRGQLJPHKR-GGPJMOMPSA-N
Compound name
[(2S)-2-docosanoyloxy-3-(22-methyltricosanoyloxy)propyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1129.0963 Da
Monoisotopic Mass

33.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1130.1036 370.0
[M+Na]+ 1152.0855 371.4
[M-H]- 1128.0890 348.8
[M+NH4]+ 1147.1301 380.5
[M+K]+ 1168.0595 389.1
[M+H-H2O]+ 1112.0936 370.2
[M+HCOO]- 1174.0945 353.9
[M+CH3COO]- 1188.1102 357.8
[M+Na-2H]- 1150.0710 343.1
[M]+ 1129.0958 375.9
[M]- 1129.0968 375.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.