CID 9626420

3-(2-(3-methoxybenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H16Cl2N2O4
SMILES
COC1=CC=CC(=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H16Cl2N2O4/c1-29-17-6-3-5-15(11-17)21(27)26-25-13-14-4-2-7-18(10-14)30-22(28)19-9-8-16(23)12-20(19)24/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
IPMHOCUPBWJQLU-DHRITJCHSA-N
Compound name
[3-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.0487 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.05598 201.3
[M+Na]+ 465.03792 209.2
[M-H]- 441.04142 211.8
[M+NH4]+ 460.08252 211.7
[M+K]+ 481.01186 203.3
[M+H-H2O]+ 425.04596 192.4
[M+HCOO]- 487.04690 217.6
[M+CH3COO]- 501.06255 232.1
[M+Na-2H]- 463.02337 202.6
[M]+ 442.04815 208.8
[M]- 442.04925 208.8
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.