CID 138454226

N-(3-hydroxy-eicosanoyl)-homoserine lactone

Structural Information

Molecular Formula
C24H45NO4
SMILES
CCCCCCCCCCCCCCCCCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C24H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)20-23(27)25-22-18-19-29-24(22)28/h21-22,26H,2-20H2,1H3,(H,25,27)/t21?,22-/m0/s1
InChIKey
KERIGWGQSDLUFJ-KEKNWZKVSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.33487 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.34215 213.1
[M+Na]+ 434.32409 211.3
[M-H]- 410.32759 212.5
[M+NH4]+ 429.36869 222.7
[M+K]+ 450.29803 208.1
[M+H-H2O]+ 394.33213 204.8
[M+HCOO]- 456.33307 228.1
[M+CH3COO]- 470.34872 227.9
[M+Na-2H]- 432.30954 207.0
[M]+ 411.33432 217.5
[M]- 411.33542 217.5
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.