CID 9635829

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

Structural Information

Molecular Formula
C23H18Cl2N2O5
SMILES
COC1=CC=CC=C1C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl)OC
InChI
InChI=1S/C23H18Cl2N2O5/c1-30-19-6-4-3-5-16(19)22(28)27-26-13-14-7-10-20(21(11-14)31-2)32-23(29)15-8-9-17(24)18(25)12-15/h3-13H,1-2H3,(H,27,28)/b26-13+
InChIKey
LYOXMOCYHKPUCK-LGJNPRDNSA-N
Compound name
[2-methoxy-4-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.05927 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06655 207.9
[M+Na]+ 495.04849 215.9
[M-H]- 471.05199 218.6
[M+NH4]+ 490.09309 217.3
[M+K]+ 511.02243 210.9
[M+H-H2O]+ 455.05653 198.8
[M+HCOO]- 517.05747 224.0
[M+CH3COO]- 531.07312 238.4
[M+Na-2H]- 493.03394 208.2
[M]+ 472.05872 217.5
[M]- 472.05982 217.5
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.