CID 108332

Hexamethylene bis-hydroxystearamide

Structural Information

Molecular Formula
C42H84N2O4
SMILES
CCCCCCC(CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(CCCCCC)O)O
InChI
InChI=1S/C42H84N2O4/c1-3-5-7-23-31-39(45)33-25-17-13-9-11-15-19-27-35-41(47)43-37-29-21-22-30-38-44-42(48)36-28-20-16-12-10-14-18-26-34-40(46)32-24-8-6-4-2/h39-40,45-46H,3-38H2,1-2H3,(H,43,47)(H,44,48)
InChIKey
CXPIOTOKMJNFSA-UHFFFAOYSA-N
Compound name
12-hydroxy-N-[6-(12-hydroxyoctadecanoylamino)hexyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

344
Patents

680.6431 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.65038 287.1
[M+Na]+ 703.63232 292.3
[M+NH4]+ 698.67692 288.3
[M+K]+ 719.60626 291.0
[M-H]- 679.63582 276.2
[M+Na-2H]- 701.61777 285.3
[M]+ 680.64255 285.0
[M]- 680.64365 285.0
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