CID 9632146

4-(2-(2-chlorobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H15Cl3N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2Cl)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H15Cl3N2O4/c1-30-20-10-13(12-26-27-21(28)15-4-2-3-5-17(15)24)6-9-19(20)31-22(29)16-8-7-14(23)11-18(16)25/h2-12H,1H3,(H,27,28)/b26-12+
InChIKey
AGJAGAXOOJFRCU-RPPGKUMJSA-N
Compound name
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.00974 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.01702 206.1
[M+Na]+ 498.99896 214.8
[M-H]- 475.00246 215.5
[M+NH4]+ 494.04356 215.7
[M+K]+ 514.97290 208.6
[M+H-H2O]+ 459.00700 198.2
[M+HCOO]- 521.00794 216.9
[M+CH3COO]- 535.02359 237.1
[M+Na-2H]- 496.98441 205.7
[M]+ 476.00919 214.6
[M]- 476.01029 214.6
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.