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

512
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

literature stripe

Patent stripe

patents stripe