CID 51060166

2-ethoxy-4-(2-(2-methoxybenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H21ClN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2OC)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O5/c1-3-31-22-14-16(15-26-27-23(28)19-6-4-5-7-20(19)30-2)8-13-21(22)32-24(29)17-9-11-18(25)12-10-17/h4-15H,3H2,1-2H3,(H,27,28)/b26-15+
InChIKey
ZMPDQTIBYHKJTL-CVKSISIWSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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]+ 453.121176 207.1
[M+Na]+ 475.103118 213.3
[M-H]- 451.106624 217.9
[M+NH4]+ 470.147723 216.3
[M+K]+ 491.077058 208.9
[M+H-H2O]+ 435.111160 196.7
[M+HCOO]- 497.112101 227.8
[M+CH3COO]- 511.127751 236.4
[M+Na-2H]- 473.088566 208.2
[M]+ 452.11335142 214.9
[M]- 452.11444858 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.