CID 3113763

N,n'-bis(4-ethoxyphenyl)hexanediamide

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCCCC(=O)NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C22H28N2O4/c1-3-27-19-13-9-17(10-14-19)23-21(25)7-5-6-8-22(26)24-18-11-15-20(16-12-18)28-4-2/h9-16H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
FUFIMTYTHMUEMV-UHFFFAOYSA-N
Compound name
N,N'-bis(4-ethoxyphenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 195.9
[M+Na]+ 407.19412 205.7
[M+NH4]+ 402.23872 200.9
[M+K]+ 423.16806 198.8
[M-H]- 383.19762 199.3
[M+Na-2H]- 405.17957 201.5
[M]+ 384.20435 197.9
[M]- 384.20545 197.9
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.