CID 9621709

4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H16Cl2N2O4
SMILES
C1=CC=C(C=C1)C(C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C22H16Cl2N2O4/c23-16-8-11-18(19(24)12-16)22(29)30-17-9-6-14(7-10-17)13-25-26-21(28)20(27)15-4-2-1-3-5-15/h1-13,20,27H,(H,26,28)/b25-13+
InChIKey
RCOQFTMEDFBHRA-DHRITJCHSA-N
Compound name
[4-[(E)-[(2-hydroxy-2-phenylacetyl)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

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.05598 199.7
[M+Na]+ 465.03792 205.9
[M-H]- 441.04142 208.6
[M+NH4]+ 460.08252 209.0
[M+K]+ 481.01186 199.8
[M+H-H2O]+ 425.04596 191.3
[M+HCOO]- 487.04690 213.6
[M+CH3COO]- 501.06255 229.6
[M+Na-2H]- 463.02337 200.3
[M]+ 442.04815 204.6
[M]- 442.04925 204.6
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.