CID 138454228

N-(3-oxo-11z-octadecenoyl)-homoserine lactone

Structural Information

Molecular Formula
C22H37NO4
SMILES
CCCCCC/C=C\CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C22H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)18-21(25)23-20-16-17-27-22(20)26/h7-8,20H,2-6,9-18H2,1H3,(H,23,25)/b8-7-/t20-/m0/s1
InChIKey
GVICTYCNLVDGLY-AQWUKCDYSA-N
Compound name
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]octadec-11-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.27225 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.27953 201.8
[M+Na]+ 402.26147 202.0
[M-H]- 378.26497 203.1
[M+NH4]+ 397.30607 213.3
[M+K]+ 418.23541 198.8
[M+H-H2O]+ 362.26951 193.9
[M+HCOO]- 424.27045 219.4
[M+CH3COO]- 438.28610 222.4
[M+Na-2H]- 400.24692 197.2
[M]+ 379.27170 205.8
[M]- 379.27280 205.8
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.