CID 9689428

4-(2-(2-hydroxybenzoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C21H14Cl2N2O4
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C21H14Cl2N2O4/c22-14-7-10-16(18(23)11-14)21(28)29-15-8-5-13(6-9-15)12-24-25-20(27)17-3-1-2-4-19(17)26/h1-12,26H,(H,25,27)/b24-12+
InChIKey
GSLBYDJYZBZHPS-WYMPLXKRSA-N
Compound name
[4-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.03305 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.04033 196.3
[M+Na]+ 451.02227 204.2
[M-H]- 427.02577 205.6
[M+NH4]+ 446.06687 206.6
[M+K]+ 466.99621 197.8
[M+H-H2O]+ 411.03031 188.0
[M+HCOO]- 473.03125 211.5
[M+CH3COO]- 487.04690 227.1
[M+Na-2H]- 449.00772 197.8
[M]+ 428.03250 201.8
[M]- 428.03360 201.8
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.