CID 45054331

4-((4-chlorobenzyl)oxy)-n'-(2-(trifluoromethyl)benzylidene)benzohydrazide

Structural Information

Molecular Formula
C22H16ClF3N2O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C22H16ClF3N2O2/c23-18-9-5-15(6-10-18)14-30-19-11-7-16(8-12-19)21(29)28-27-13-17-3-1-2-4-20(17)22(24,25)26/h1-13H,14H2,(H,28,29)/b27-13+
InChIKey
KWVWEIVJZUCQPK-UVHMKAGCSA-N
Compound name
4-[(4-chlorophenyl)methoxy]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.08524 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09252 199.7
[M+Na]+ 455.07446 207.3
[M-H]- 431.07796 206.4
[M+NH4]+ 450.11906 209.8
[M+K]+ 471.04840 199.8
[M+H-H2O]+ 415.08250 187.4
[M+HCOO]- 477.08344 216.5
[M+CH3COO]- 491.09909 230.9
[M+Na-2H]- 453.05991 202.3
[M]+ 432.08469 200.0
[M]- 432.08579 200.0
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.