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 204.7
[M+Na]+ 461.14718 207.3
[M-H]- 437.15068 216.1
[M+NH4]+ 456.19178 211.3
[M+K]+ 477.12112 202.4
[M+H-H2O]+ 421.15522 192.3
[M+HCOO]- 483.15616 227.7
[M+CH3COO]- 497.17181 232.4
[M+Na-2H]- 459.13263 208.1
[M]+ 438.15741 204.5
[M]- 438.15851 204.6
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