CID 307411

N,n'-bis(4-ethoxyphenyl)-1,10-decanediamide

Structural Information

Molecular Formula
C26H36N2O4
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCCCCCCCC(=O)NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C26H36N2O4/c1-3-31-23-17-13-21(14-18-23)27-25(29)11-9-7-5-6-8-10-12-26(30)28-22-15-19-24(20-16-22)32-4-2/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
WUOQOXCMMVFWOQ-UHFFFAOYSA-N
Compound name
N,N'-bis(4-ethoxyphenyl)decanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.26752 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.274796 212.4
[M+Na]+ 463.256738 213.3
[M-H]- 439.260244 217.1
[M+NH4]+ 458.301343 220.5
[M+K]+ 479.230678 209.2
[M+H-H2O]+ 423.264780 201.6
[M+HCOO]- 485.265721 233.8
[M+CH3COO]- 499.281371 237.0
[M+Na-2H]- 461.242186 211.2
[M]+ 440.26697142 217.7
[M]- 440.26806858 217.7
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.