CID 51060335

N'-(4-((4-cl-benzyl)oxy)-3-ethoxybenzylidene)-2-(4-ethylphenoxy)acetohydrazide

Structural Information

Molecular Formula
C26H27ClN2O4
SMILES
CCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OCC
InChI
InChI=1S/C26H27ClN2O4/c1-3-19-7-12-23(13-8-19)32-18-26(30)29-28-16-21-9-14-24(25(15-21)31-4-2)33-17-20-5-10-22(27)11-6-20/h5-16H,3-4,17-18H2,1-2H3,(H,29,30)/b28-16+
InChIKey
MLAAFRXDOQSLNN-LQKURTRISA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.16592 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.17320 214.6
[M+Na]+ 489.15514 220.0
[M-H]- 465.15864 224.7
[M+NH4]+ 484.19974 223.3
[M+K]+ 505.12908 214.3
[M+H-H2O]+ 449.16318 203.5
[M+HCOO]- 511.16412 235.1
[M+CH3COO]- 525.17977 240.4
[M+Na-2H]- 487.14059 215.4
[M]+ 466.16537 222.9
[M]- 466.16647 222.9
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.