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
2
Annotation Hits

0
References

4
Patents

353.25662 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.26390 193.9
[M+Na]+ 376.24584 194.6
[M-H]- 352.24934 195.6
[M+NH4]+ 371.29044 206.6
[M+K]+ 392.21978 192.6
[M+H-H2O]+ 336.25388 186.3
[M+HCOO]- 398.25482 212.0
[M+CH3COO]- 412.27047 217.8
[M+Na-2H]- 374.23129 190.4
[M]+ 353.25607 198.1
[M]- 353.25717 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