CID 9667906

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

Structural Information

Molecular Formula
C25H21Cl2N3O6
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OC
InChI
InChI=1S/C25H21Cl2N3O6/c1-34-21-10-5-16(11-22(21)35-2)24(32)28-14-23(31)30-29-13-15-3-7-18(8-4-15)36-25(33)19-9-6-17(26)12-20(19)27/h3-13H,14H2,1-2H3,(H,28,32)(H,30,31)/b29-13+
InChIKey
DVGAGZJMFFJRLS-VFLNYLIXSA-N
Compound name
[4-[(E)-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.08075 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.08803 221.3
[M+Na]+ 552.06997 227.2
[M-H]- 528.07347 231.8
[M+NH4]+ 547.11457 227.8
[M+K]+ 568.04391 223.1
[M+H-H2O]+ 512.07801 211.8
[M+HCOO]- 574.07895 237.3
[M+CH3COO]- 588.09460 251.0
[M+Na-2H]- 550.05542 220.5
[M]+ 529.08020 231.2
[M]- 529.08130 231.2
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.