CID 51060214

2-ethoxy-4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H21ClN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O5/c1-2-31-21-14-16(15-26-27-23(29)22(28)17-6-4-3-5-7-17)8-13-20(21)32-24(30)18-9-11-19(25)12-10-18/h3-15,22,28H,2H2,1H3,(H,27,29)/b26-15+
InChIKey
OOQRCEWAGAREOY-CVKSISIWSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1139 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.12118 206.0
[M+Na]+ 475.10312 210.5
[M-H]- 451.10662 215.2
[M+NH4]+ 470.14772 214.1
[M+K]+ 491.07706 205.9
[M+H-H2O]+ 435.11116 196.0
[M+HCOO]- 497.11210 224.3
[M+CH3COO]- 511.12775 233.8
[M+Na-2H]- 473.08857 206.4
[M]+ 452.11335 211.1
[M]- 452.11445 211.1
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.