CID 51060340

2,4-dichloro-n'-(4-((4-methylbenzyl)oxy)benzylidene)benzohydrazide

Structural Information

Molecular Formula

C₂₂H₁₈Cl₂N₂O₂

SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O2/c1-15-2-4-17(5-3-15)14-28-19-9-6-16(7-10-19)13-25-26-22(27)20-11-8-18(23)12-21(20)24/h2-13H,14H2,1H3,(H,26,27)/b25-13+

InChIKey

FLTFXJXRANUXPY-DHRITJCHSA-N

Compound name

2,4-dichloro-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 412.07452 Da
Monoisotopic Mass: 5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	413.081796	197.9
[M+Na]+	435.063738	206.1
[M-H]-	411.067244	207.9
[M+NH4]+	430.108343	209.7
[M+K]+	451.037678	198.5
[M+H-H2O]+	395.071780	188.9
[M+HCOO]-	457.072721	214.4
[M+CH3COO]-	471.088371	228.3
[M+Na-2H]-	433.049186	199.8
[M]+	412.07397142	203.8
[M]-	412.07506858	203.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.