CID 9543753

1-hexadecanoyl-2-heneicosanoyl-sn-glycerol

Structural Information

Molecular Formula
C40H78O5
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38,41H,3-37H2,1-2H3/t38-/m0/s1
InChIKey
LNOCPOZKFMJKJK-LHEWISCISA-N
Compound name
[(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.5849 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.59218 272.8
[M+Na]+ 661.57412 272.8
[M+NH4]+ 656.61872 273.4
[M+K]+ 677.54806 273.3
[M-H]- 637.57762 256.7
[M+Na-2H]- 659.55957 270.2
[M]+ 638.58435 268.6
[M]- 638.58545 268.6
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.