CID 162422433

Chebi:189542

Structural Information

Molecular Formula
C40H79NO3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C40H79NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h38,42H,3-37H2,1-2H3,(H,41,44)/t38-/m0/s1
InChIKey
FESKEHGEZATRNN-LHEWISCISA-N
Compound name
N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]docosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.606 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.61328 273.7
[M+Na]+ 644.59522 279.4
[M-H]- 620.59872 258.7
[M+NH4]+ 639.63982 272.9
[M+K]+ 660.56916 281.9
[M+H-H2O]+ 604.60326 271.8
[M+HCOO]- 666.60420 271.5
[M+CH3COO]- 680.61985 274.4
[M+Na-2H]- 642.58067 255.4
[M]+ 621.60545 270.3
[M]- 621.60655 270.3
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

No patent data available for this compound.