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]+ 453.121176 206.0
[M+Na]+ 475.103118 210.5
[M-H]- 451.106624 215.2
[M+NH4]+ 470.147723 214.1
[M+K]+ 491.077058 205.9
[M+H-H2O]+ 435.111160 196.0
[M+HCOO]- 497.112101 224.3
[M+CH3COO]- 511.127751 233.8
[M+Na-2H]- 473.088566 206.4
[M]+ 452.11335142 211.1
[M]- 452.11444858 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.