CID 131802886

Dg(a-25:0/17:0/0:0)

Structural Information

Molecular Formula
C45H88O5
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C45H88O5/c1-4-6-7-8-9-10-11-12-20-24-27-30-33-36-39-45(48)50-43(40-46)41-49-44(47)38-35-32-29-26-23-21-18-16-14-13-15-17-19-22-25-28-31-34-37-42(3)5-2/h42-43,46H,4-41H2,1-3H3/t42?,43-/m0/s1
InChIKey
VCFBKORWBFKFFH-ZZLFMUNJSA-N
Compound name
[(2S)-2-heptadecanoyloxy-3-hydroxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

708.66315 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.67043 289.8
[M+Na]+ 731.65237 289.3
[M+NH4]+ 726.69697 291.1
[M+K]+ 747.62631 290.8
[M-H]- 707.65587 273.2
[M+Na-2H]- 729.63782 285.8
[M]+ 708.66260 285.6
[M]- 708.66370 285.6
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.