CID 344946

N,n'-dioctyloxamide

Structural Information

Molecular Formula
C18H36N2O2
SMILES
CCCCCCCCNC(=O)C(=O)NCCCCCCCC
InChI
InChI=1S/C18H36N2O2/c1-3-5-7-9-11-13-15-19-17(21)18(22)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
SIDCXXDUSLLCNK-UHFFFAOYSA-N
Compound name
N,N'-dioctyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

312.27768 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.28496 186.0
[M+Na]+ 335.26690 186.7
[M-H]- 311.27040 184.1
[M+NH4]+ 330.31150 200.1
[M+K]+ 351.24084 184.0
[M+H-H2O]+ 295.27494 178.3
[M+HCOO]- 357.27588 206.7
[M+CH3COO]- 371.29153 214.9
[M+Na-2H]- 333.25235 184.6
[M]+ 312.27713 190.0
[M]- 312.27823 190.0
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