CID 294514

37211-11-3

Structural Information

Molecular Formula
C44H89NO5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)
InChIKey
XNLFLZXNXQVPII-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(1,3,4-trihydroxyoctadecan-2-yl)hexacosanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

711.6741 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 712.68138 287.6
[M+Na]+ 734.66332 288.9
[M-H]- 710.66682 273.5
[M+NH4]+ 729.70792 284.3
[M+K]+ 750.63726 294.6
[M+H-H2O]+ 694.67136 283.2
[M+HCOO]- 756.67230 273.3
[M+CH3COO]- 770.68795 283.6
[M+Na-2H]- 732.64877 265.7
[M]+ 711.67355 281.2
[M]- 711.67465 281.2
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.