CID 503401

Hexadecanamide, n-[2,3,4-trihydroxy-1-(hydroxymethyl)heptadecyl]-

Structural Information

Molecular Formula
C34H69NO5
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CO)C(C(C(CCCCCCCCCCCCC)O)O)O
InChI
InChI=1S/C34H69NO5/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-32(38)35-30(29-36)33(39)34(40)31(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h30-31,33-34,36-37,39-40H,3-29H2,1-2H3,(H,35,38)
InChIKey
ZMQRUGJRPFLTGX-UHFFFAOYSA-N
Compound name
N-(1,3,4,5-tetrahydroxyoctadecan-2-yl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.5176 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.52488 255.6
[M+Na]+ 594.50682 258.6
[M-H]- 570.51032 245.2
[M+NH4]+ 589.55142 252.4
[M+K]+ 610.48076 260.1
[M+H-H2O]+ 554.51486 252.2
[M+HCOO]- 616.51580 245.1
[M+CH3COO]- 630.53145 256.6
[M+Na-2H]- 592.49227 237.7
[M]+ 571.51705 249.0
[M]- 571.51815 249.0
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

No patent data available for this compound.