CID 68865091

N-(eicosanoyl)-homoserine lactone

Structural Information

Molecular Formula
C24H45NO3
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22-20-21-28-24(22)27/h22H,2-21H2,1H3,(H,25,26)/t22-/m0/s1
InChIKey
HCSKHYGRQHJOLY-QFIPXVFZSA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]icosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.33994 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.34722 209.6
[M+Na]+ 418.32916 208.7
[M-H]- 394.33266 210.3
[M+NH4]+ 413.37376 220.8
[M+K]+ 434.30310 205.2
[M+H-H2O]+ 378.33720 201.2
[M+HCOO]- 440.33814 226.9
[M+CH3COO]- 454.35379 227.6
[M+Na-2H]- 416.31461 205.1
[M]+ 395.33939 215.1
[M]- 395.34049 215.1
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