CID 131799900

Dg(i-22:0/0:0/i-15:0)

Structural Information

Molecular Formula
C40H78O5
SMILES
CC(C)CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)O
InChI
InChI=1S/C40H78O5/c1-36(2)30-26-22-18-14-11-9-7-5-6-8-10-12-16-20-24-28-32-39(42)44-34-38(41)35-45-40(43)33-29-25-21-17-13-15-19-23-27-31-37(3)4/h36-38,41H,5-35H2,1-4H3/t38-/m1/s1
InChIKey
OZBVKIDYFGJAEA-KXQOOQHDSA-N
Compound name
[(2R)-2-hydroxy-3-(13-methyltetradecanoyloxy)propyl] 20-methylhenicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.5849 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.59218 274.1
[M+Na]+ 661.57412 274.1
[M+NH4]+ 656.61872 276.4
[M+K]+ 677.54806 274.7
[M-H]- 637.57762 260.4
[M+Na-2H]- 659.55957 272.1
[M]+ 638.58435 270.7
[M]- 638.58545 270.7
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.