CID 73242197

C20 1-deoxycer

Structural Information

Molecular Formula
C38H75NO2
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C38H75NO2/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-38(41)39-36(3)37(40)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h32,34,36-37,40H,4-31,33,35H2,1-3H3,(H,39,41)/b34-32+/t36-,37+/m0/s1
InChIKey
BDOKQOQOGQPDCY-QJWMWEEBSA-N
Compound name
N-[(E,2S,3R)-3-hydroxyoctadec-4-en-2-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.5798 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.58708 265.8
[M+Na]+ 600.56902 272.4
[M-H]- 576.57252 251.1
[M+NH4]+ 595.61362 264.3
[M+K]+ 616.54296 274.0
[M+H-H2O]+ 560.57706 263.9
[M+HCOO]- 622.57800 264.4
[M+CH3COO]- 636.59365 266.7
[M+Na-2H]- 598.55447 248.6
[M]+ 577.57925 262.4
[M]- 577.58035 262.4
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.