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]+ 449.191846 203.9
[M+Na]+ 471.173788 209.1
[M-H]- 447.177294 210.8
[M+NH4]+ 466.218393 212.4
[M+K]+ 487.147728 209.6
[M+H-H2O]+ 431.181830 193.7
[M+HCOO]- 493.182771 227.1
[M+CH3COO]- 507.198421 239.6
[M+Na-2H]- 469.159236 202.8
[M]+ 448.18402142 215.1
[M]- 448.18511858 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.