CID 56936338

1-tridecanoyl-2-docosanoyl-sn-glycerol

Structural Information

Molecular Formula
C38H74O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-38(41)43-36(34-39)35-42-37(40)32-30-28-26-24-14-12-10-8-6-4-2/h36,39H,3-35H2,1-2H3/t36-/m0/s1
InChIKey
CYZRJZZWZGXFHA-BHVANESWSA-N
Compound name
[(2S)-1-hydroxy-3-tridecanoyloxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.55365 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.56093 266.2
[M+Na]+ 633.54287 266.4
[M+NH4]+ 628.58747 266.9
[M+K]+ 649.51681 266.6
[M-H]- 609.54637 250.7
[M+Na-2H]- 631.52832 264.2
[M]+ 610.55310 262.1
[M]- 610.55420 262.1
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.