CID 20647578

Dtxsid901343078

Structural Information

Molecular Formula
C28H40N2O3
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)C(=O)NC2=CC=CC=C2OCC
InChI
InChI=1S/C28H40N2O3/c1-3-5-6-7-8-9-10-11-12-13-16-23-19-21-24(22-20-23)29-27(31)28(32)30-25-17-14-15-18-26(25)33-4-2/h14-15,17-22H,3-13,16H2,1-2H3,(H,29,31)(H,30,32)
InChIKey
JWLPAGQGWMIDDL-UHFFFAOYSA-N
Compound name
N-(4-dodecylphenyl)-N'-(2-ethoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

452.3039 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.31118 219.0
[M+Na]+ 475.29312 219.2
[M-H]- 451.29662 223.2
[M+NH4]+ 470.33772 226.7
[M+K]+ 491.26706 214.0
[M+H-H2O]+ 435.30116 208.0
[M+HCOO]- 497.30210 239.4
[M+CH3COO]- 511.31775 240.2
[M+Na-2H]- 473.27857 216.5
[M]+ 452.30335 223.4
[M]- 452.30445 223.4
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