CID 73242209

C18dh 1-deoxycer

Structural Information

Molecular Formula
C36H73NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](C)[C@@H](CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C36H73NO2/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-36(39)37-34(3)35(38)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h34-35,38H,4-33H2,1-3H3,(H,37,39)/t34-,35+/m0/s1
InChIKey
SSRXXIJGSYRYGC-OIDHKYIRSA-N
Compound name
N-[(2S,3R)-3-hydroxyoctadecan-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

551.56415 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.57143 261.7
[M+Na]+ 574.55337 268.0
[M-H]- 550.55687 246.9
[M+NH4]+ 569.59797 260.0
[M+K]+ 590.52731 269.3
[M+H-H2O]+ 534.56141 260.0
[M+HCOO]- 596.56235 260.2
[M+CH3COO]- 610.57800 262.4
[M+Na-2H]- 572.53882 244.8
[M]+ 551.56360 258.6
[M]- 551.56470 258.6
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.