CID 3113763

N(1),n(6)-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 194.8
[M+Na]+ 407.19412 197.5
[M-H]- 383.19762 200.3
[M+NH4]+ 402.23872 205.3
[M+K]+ 423.16806 194.2
[M+H-H2O]+ 367.20216 184.8
[M+HCOO]- 429.20310 217.6
[M+CH3COO]- 443.21875 225.3
[M+Na-2H]- 405.17957 195.6
[M]+ 384.20435 198.8
[M]- 384.20545 198.8
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.