CID 135842504

4-((4-chlorobenzyl)oxy)-n'-(3-ethoxy-4-hydroxybenzylidene)benzohydrazide

Structural Information

Molecular Formula
C23H21ClN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C23H21ClN2O4/c1-2-29-22-13-17(5-12-21(22)27)14-25-26-23(28)18-6-10-20(11-7-18)30-15-16-3-8-19(24)9-4-16/h3-14,27H,2,15H2,1H3,(H,26,28)/b25-14+
InChIKey
LLORGMDTGGXITE-AFUMVMLFSA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.119 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.126276 200.7
[M+Na]+ 447.108218 207.1
[M-H]- 423.111724 210.2
[M+NH4]+ 442.152823 210.5
[M+K]+ 463.082158 201.3
[M+H-H2O]+ 407.116260 190.7
[M+HCOO]- 469.117201 220.8
[M+CH3COO]- 483.132851 229.5
[M+Na-2H]- 445.093666 202.8
[M]+ 424.11845142 206.3
[M]- 424.11954858 206.3
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.