CID 44151141

Paramul sas

Structural Information

Molecular Formula
C40H79NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(CO)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41-35-38(36-42)37-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,42H,3-37H2,1-2H3,(H,41,43)
InChIKey
WFRVQTULFYUPMZ-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-3-(octadecanoylamino)propyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

319
Patents

637.6009 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.60818 276.3
[M+Na]+ 660.59012 281.5
[M-H]- 636.59362 262.1
[M+NH4]+ 655.63472 276.3
[M+K]+ 676.56406 283.8
[M+H-H2O]+ 620.59816 274.6
[M+HCOO]- 682.59910 274.2
[M+CH3COO]- 696.61475 275.5
[M+Na-2H]- 658.57557 257.6
[M]+ 637.60035 272.9
[M]- 637.60145 272.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe