CID 45054783

4-((4-chlorobenzyl)oxy)-n'-(4-fluorobenzylidene)benzohydrazide

Structural Information

Molecular Formula

C₂₁H₁₆ClFN₂O₂

SMILES

C1=CC(=CC=C1COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H16ClFN2O2/c22-18-7-1-16(2-8-18)14-27-20-11-5-17(6-12-20)21(26)25-24-13-15-3-9-19(23)10-4-15/h1-13H,14H2,(H,25,26)/b24-13+

InChIKey

NGBLLBFSCOYLLW-ZMOGYAJESA-N

Compound name

4-[(4-chlorophenyl)methoxy]-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.08844 Da
Monoisotopic Mass: 5.0
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]+	383.095716	189.3
[M+Na]+	405.077658	196.7
[M-H]-	381.081164	198.6
[M+NH4]+	400.122263	201.4
[M+K]+	421.051598	189.8
[M+H-H2O]+	365.085700	178.6
[M+HCOO]-	427.086641	210.2
[M+CH3COO]-	441.102291	223.0
[M+Na-2H]-	403.063106	192.7
[M]+	382.08789142	191.8
[M]-	382.08898858	191.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.