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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09572 189.3
[M+Na]+ 405.07766 196.7
[M-H]- 381.08116 198.6
[M+NH4]+ 400.12226 201.4
[M+K]+ 421.05160 189.8
[M+H-H2O]+ 365.08570 178.6
[M+HCOO]- 427.08664 210.2
[M+CH3COO]- 441.10229 223.0
[M+Na-2H]- 403.06311 192.7
[M]+ 382.08789 191.8
[M]- 382.08899 191.8
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.