CID 9592827

4-(2-(ho(phenyl)acetyl)carbohydrazonoyl)-2-methoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H18Cl2N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(C2=CC=CC=C2)O)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H18Cl2N2O5/c1-31-20-11-14(13-26-27-22(29)21(28)15-5-3-2-4-6-15)7-10-19(20)32-23(30)17-9-8-16(24)12-18(17)25/h2-13,21,28H,1H3,(H,27,29)/b26-13+
InChIKey
BPQWHHSUIBNCFT-LGJNPRDNSA-N
Compound name
[4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.05927 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06655 206.2
[M+Na]+ 495.04849 212.6
[M-H]- 471.05199 215.3
[M+NH4]+ 490.09309 214.6
[M+K]+ 511.02243 207.4
[M+H-H2O]+ 455.05653 197.6
[M+HCOO]- 517.05747 220.0
[M+CH3COO]- 531.07312 235.9
[M+Na-2H]- 493.03394 205.9
[M]+ 472.05872 213.2
[M]- 472.05982 213.2
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.