CID 45054439

4-((4-chlorobenzyl)oxy)-n'-(3-fluorobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C21H16ClFN2O2
SMILES
C1=CC(=CC(=C1)F)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H16ClFN2O2/c22-18-8-4-15(5-9-18)14-27-20-10-6-17(7-11-20)21(26)25-24-13-16-2-1-3-19(23)12-16/h1-13H,14H2,(H,25,26)/b24-13+
InChIKey
AWJNZKBGHVMEJY-ZMOGYAJESA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-(3-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09572 189.4
[M+Na]+ 405.07766 204.4
[M+NH4]+ 400.12226 196.9
[M+K]+ 421.05160 194.4
[M-H]- 381.08116 195.9
[M+Na-2H]- 403.06311 200.1
[M]+ 382.08789 193.6
[M]- 382.08899 193.6
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.