CID 11508635

1071479-82-7

Structural Information

Molecular Formula
C20H35NO4
SMILES
CCCCCCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
InChI
InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-19(23)21-18-14-15-25-20(18)24/h18H,2-16H2,1H3,(H,21,23)
InChIKey
YZBAMTUXUHIYCQ-UHFFFAOYSA-N
Compound name
3-oxo-N-(2-oxooxolan-3-yl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.25662 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.263896 193.9
[M+Na]+ 376.245838 194.6
[M-H]- 352.249344 195.6
[M+NH4]+ 371.290443 206.6
[M+K]+ 392.219778 192.6
[M+H-H2O]+ 336.253880 186.3
[M+HCOO]- 398.254821 212.0
[M+CH3COO]- 412.270471 217.8
[M+Na-2H]- 374.231286 190.4
[M]+ 353.25607142 198.1
[M]- 353.25716858 198.1
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