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 265.9
[M+Na]+ 589.52786 273.4
[M-H]- 565.53136 255.1
[M+NH4]+ 584.57246 264.3
[M+K]+ 605.50180 272.7
[M+H-H2O]+ 549.53590 263.4
[M+HCOO]- 611.53684 263.5
[M+CH3COO]- 625.55249 265.0
[M+Na-2H]- 587.51331 248.8
[M]+ 566.53809 260.0
[M]- 566.53919 260.0
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