CID 15511094

Palmitamidohexadecanediol

Structural Information

Molecular Formula
C32H65NO3
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCC)O
InChI
InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-32(36)33-30(29-34)31(35)27-25-23-21-19-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
InChIKey
GFUGOEQVSHGJMI-IOWSJCHKSA-N
Compound name
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

511.49646 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.50374 248.6
[M+Na]+ 534.48568 252.2
[M+NH4]+ 529.53028 248.4
[M+K]+ 550.45962 249.4
[M-H]- 510.48918 236.2
[M+Na-2H]- 532.47113 248.7
[M]+ 511.49591 245.3
[M]- 511.49701 245.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe