CID 9651689

4(2-(((3,4,5-trimethoxybenzoyl)amino)ac)carbohydrazonoyl)ph 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H23Cl2N3O7
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C26H23Cl2N3O7/c1-35-21-10-16(11-22(36-2)24(21)37-3)25(33)29-14-23(32)31-30-13-15-4-7-18(8-5-15)38-26(34)19-9-6-17(27)12-20(19)28/h4-13H,14H2,1-3H3,(H,29,33)(H,31,32)/b30-13+
InChIKey
KRQCZDYKDVVTLM-VVEOGCPPSA-N
Compound name
[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

559.0913 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.09858 227.4
[M+Na]+ 582.08052 233.3
[M-H]- 558.08402 238.1
[M+NH4]+ 577.12512 232.9
[M+K]+ 598.05446 230.2
[M+H-H2O]+ 542.08856 217.7
[M+HCOO]- 604.08950 243.2
[M+CH3COO]- 618.10515 257.4
[M+Na-2H]- 580.06597 225.8
[M]+ 559.09075 239.3
[M]- 559.09185 239.3
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.