CID 61058

123-26-2

Structural Information

Molecular Formula
C38H76N2O4
SMILES
CCCCCCC(CCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O
InChI
InChI=1S/C38H76N2O4/c1-3-5-7-21-27-35(41)29-23-17-13-9-11-15-19-25-31-37(43)39-33-34-40-38(44)32-26-20-16-12-10-14-18-24-30-36(42)28-22-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)
InChIKey
YLWQQYRYYZPZLJ-UHFFFAOYSA-N
Compound name
12-hydroxy-N-[2-(12-hydroxyoctadecanoylamino)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1140
Patents

624.5805 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.58778 274.4
[M+Na]+ 647.56972 280.0
[M+NH4]+ 642.61432 275.7
[M+K]+ 663.54366 277.9
[M-H]- 623.57322 264.8
[M+Na-2H]- 645.55517 273.9
[M]+ 624.57995 272.6
[M]- 624.58105 272.6
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

patents stripe