CID 45055142

4-(2-(2-chlorobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C24H21ClN2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C24H21ClN2O5/c1-3-31-18-11-9-17(10-12-18)24(29)32-21-13-8-16(14-22(21)30-2)15-26-27-23(28)19-6-4-5-7-20(19)25/h4-15H,3H2,1-2H3,(H,27,28)/b26-15+
InChIKey
XYYBTPWHCWOYKI-CVKSISIWSA-N
Compound name
[4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1139 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.12118 207.1
[M+Na]+ 475.10312 213.3
[M-H]- 451.10662 217.9
[M+NH4]+ 470.14772 216.3
[M+K]+ 491.07706 208.9
[M+H-H2O]+ 435.11116 196.7
[M+HCOO]- 497.11210 227.8
[M+CH3COO]- 511.12775 236.4
[M+Na-2H]- 473.08857 208.2
[M]+ 452.11335 214.9
[M]- 452.11445 214.9
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.