CID 3071717

Hexadecanamide, n,n'-(2-hydroxy-1,3-propanediyl)bis-

Structural Information

Molecular Formula
C35H70N2O3
SMILES
CCCCCCCCCCCCCCCC(=O)NCC(CNC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C35H70N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(39)36-31-33(38)32-37-35(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,38H,3-32H2,1-2H3,(H,36,39)(H,37,40)
InChIKey
ZEMNPSYHIBHALP-UHFFFAOYSA-N
Compound name
N-[3-(hexadecanoylamino)-2-hydroxypropyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

566.53864 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.54592 263.6
[M+Na]+ 589.52786 269.7
[M+NH4]+ 584.57246 264.4
[M+K]+ 605.50180 266.7
[M-H]- 565.53136 253.0
[M+Na-2H]- 587.51331 263.7
[M]+ 566.53809 261.6
[M]- 566.53919 261.6
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

patents stripe