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]+ 425.12628 200.7
[M+Na]+ 447.10822 207.1
[M-H]- 423.11172 210.2
[M+NH4]+ 442.15282 210.5
[M+K]+ 463.08216 201.3
[M+H-H2O]+ 407.11626 190.7
[M+HCOO]- 469.11720 220.8
[M+CH3COO]- 483.13285 229.5
[M+Na-2H]- 445.09367 202.8
[M]+ 424.11845 206.3
[M]- 424.11955 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.