CID 162344866

Db-252503

Structural Information

Molecular Formula
C40H79NO4
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(C)(CO)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C40H79NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(43)41-40(3,36-42)37-45-39(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-37H2,1-3H3,(H,41,43)
InChIKey
XUQLHFKRDHBCFX-UHFFFAOYSA-N
Compound name
[3-hydroxy-2-methyl-2-(octadecanoylamino)propyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 271.4
[M+Na]+ 660.59012 275.9
[M-H]- 636.59362 258.3
[M+NH4]+ 655.63472 271.4
[M+K]+ 676.56406 279.1
[M+H-H2O]+ 620.59816 267.5
[M+HCOO]- 682.59910 272.8
[M+CH3COO]- 696.61475 275.4
[M+Na-2H]- 658.57557 252.8
[M]+ 637.60035 269.6
[M]- 637.60145 269.6
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

No patent data available for this compound.