CID 70700400

2-dioctylcarbamoylmethoxy-n,n-dioctyl-acetamide

Structural Information

Molecular Formula
C36H72N2O3
SMILES
CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)N(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C36H72N2O3/c1-5-9-13-17-21-25-29-37(30-26-22-18-14-10-6-2)35(39)33-41-34-36(40)38(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-34H2,1-4H3
InChIKey
VRZYWIAVUGQHKB-UHFFFAOYSA-N
Compound name
2-[2-(dioctylamino)-2-oxoethoxy]-N,N-dioctylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

455
Patents

580.5543 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.56158 271.6
[M+Na]+ 603.54352 282.5
[M-H]- 579.54702 263.2
[M+NH4]+ 598.58812 278.5
[M+K]+ 619.51746 282.6
[M+H-H2O]+ 563.55156 273.2
[M+HCOO]- 625.55250 271.7
[M+CH3COO]- 639.56815 275.7
[M+Na-2H]- 601.52897 257.1
[M]+ 580.55375 269.8
[M]- 580.55485 269.8
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.