CID 9650080

2-ethoxy-4-[(e)-({[(3,4,5-trimethoxybenzoyl)amino]acetyl}hydrazono)methyl]phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H27Cl2N3O8
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C28H27Cl2N3O8/c1-5-40-22-10-16(6-9-21(22)41-28(36)19-8-7-18(29)13-20(19)30)14-32-33-25(34)15-31-27(35)17-11-23(37-2)26(39-4)24(12-17)38-3/h6-14H,5,15H2,1-4H3,(H,31,35)(H,33,34)/b32-14+
InChIKey
TYDRHWKKVBXXLO-HIWRWHBISA-N
Compound name
[2-ethoxy-4-[(E)-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.1175 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.12478 237.5
[M+Na]+ 626.10672 243.0
[M-H]- 602.11022 248.2
[M+NH4]+ 621.15132 241.3
[M+K]+ 642.08066 240.8
[M+H-H2O]+ 586.11476 227.5
[M+HCOO]- 648.11570 252.7
[M+CH3COO]- 662.13135 266.4
[M+Na-2H]- 624.09217 234.6
[M]+ 603.11695 251.8
[M]- 603.11805 251.8
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.