CID 9809545

Bishydroxyethyl biscetyl malonamide

Structural Information

Molecular Formula
C39H78N2O4
SMILES
CCCCCCCCCCCCCCCCN(CCO)C(=O)CC(=O)N(CCCCCCCCCCCCCCCC)CCO
InChI
InChI=1S/C39H78N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40(33-35-42)38(44)37-39(45)41(34-36-43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-37H2,1-2H3
InChIKey
RHIIHYCQYFKTHL-UHFFFAOYSA-N
Compound name
N,N'-dihexadecyl-N,N'-bis(2-hydroxyethyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

192
Patents

638.5961 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.60338 280.8
[M+Na]+ 661.58532 286.0
[M+NH4]+ 656.62992 283.6
[M+K]+ 677.55926 284.4
[M-H]- 637.58882 270.3
[M+Na-2H]- 659.57077 279.9
[M]+ 638.59555 279.1
[M]- 638.59665 279.1
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