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
3
Annotation Hits

0
References

196
Patents

638.5961 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.603376 280.7
[M+Na]+ 661.585318 288.5
[M-H]- 637.588824 271.0
[M+NH4]+ 656.629923 283.6
[M+K]+ 677.559258 289.9
[M+H-H2O]+ 621.593360 279.8
[M+HCOO]- 683.594301 276.2
[M+CH3COO]- 697.609951 280.8
[M+Na-2H]- 659.570766 263.1
[M]+ 638.59555142 276.3
[M]- 638.59664858 276.3
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