CID 120558

Benzamide, n,n'-ethylenebis(3,4,5-trimethoxy-

Structural Information

Molecular Formula
C22H28N2O8
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCCNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C22H28N2O8/c1-27-15-9-13(10-16(28-2)19(15)31-5)21(25)23-7-8-24-22(26)14-11-17(29-3)20(32-6)18(12-14)30-4/h9-12H,7-8H2,1-6H3,(H,23,25)(H,24,26)
InChIKey
JCLCOJAJAAPGCG-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.18457 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.19185 203.9
[M+Na]+ 471.17379 209.1
[M-H]- 447.17729 210.8
[M+NH4]+ 466.21839 212.4
[M+K]+ 487.14773 209.6
[M+H-H2O]+ 431.18183 193.7
[M+HCOO]- 493.18277 227.1
[M+CH3COO]- 507.19842 239.6
[M+Na-2H]- 469.15924 202.8
[M]+ 448.18402 215.1
[M]- 448.18512 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.