CID 2392247

N,n'-bis(4-phenoxyphenyl)propanediamide

Structural Information

Molecular Formula
C27H22N2O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C27H22N2O4/c30-26(28-20-11-15-24(16-12-20)32-22-7-3-1-4-8-22)19-27(31)29-21-13-17-25(18-14-21)33-23-9-5-2-6-10-23/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKey
KHHPHLOXCANWFJ-UHFFFAOYSA-N
Compound name
N,N'-bis(4-phenoxyphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

438.15796 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.16524 208.8
[M+Na]+ 461.14718 223.3
[M+NH4]+ 456.19178 215.3
[M+K]+ 477.12112 214.2
[M-H]- 437.15068 217.8
[M+Na-2H]- 459.13263 221.1
[M]+ 438.15741 213.4
[M]- 438.15851 213.4
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