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]+ 441.27480 212.4
[M+Na]+ 463.25674 213.3
[M-H]- 439.26024 217.1
[M+NH4]+ 458.30134 220.5
[M+K]+ 479.23068 209.2
[M+H-H2O]+ 423.26478 201.6
[M+HCOO]- 485.26572 233.8
[M+CH3COO]- 499.28137 237.0
[M+Na-2H]- 461.24219 211.2
[M]+ 440.26697 217.7
[M]- 440.26807 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.