CID 73242195

1246298-56-5

Structural Information

Molecular Formula
C34H67NO2
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C34H67NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h28,30,32-33,36H,4-27,29,31H2,1-3H3,(H,35,37)/b30-28+/t32-,33+/m0/s1
InChIKey
OMAZTBDOTJASLA-RLLISAASSA-N
Compound name
N-[(E,2S,3R)-3-hydroxyoctadec-4-en-2-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

521.51715 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.52443 252.3
[M+Na]+ 544.50637 259.6
[M-H]- 520.50987 239.1
[M+NH4]+ 539.55097 251.0
[M+K]+ 560.48031 259.6
[M+H-H2O]+ 504.51441 250.9
[M+HCOO]- 566.51535 252.5
[M+CH3COO]- 580.53100 255.4
[M+Na-2H]- 542.49182 236.8
[M]+ 521.51660 249.1
[M]- 521.51770 249.1
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