CID 9630724

4-bromo-n'-(3-((4-chlorobenzyl)oxy)benzylidene)benzohydrazide

Structural Information

Molecular Formula
C21H16BrClN2O2
SMILES
C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=N/NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H16BrClN2O2/c22-18-8-6-17(7-9-18)21(26)25-24-13-16-2-1-3-20(12-16)27-14-15-4-10-19(23)11-5-15/h1-13H,14H2,(H,25,26)/b24-13+
InChIKey
PXALKDDIILIADM-ZMOGYAJESA-N
Compound name
4-bromo-N-[(E)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.00836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.01564 194.6
[M+Na]+ 464.99758 204.2
[M-H]- 441.00108 207.0
[M+NH4]+ 460.04218 208.1
[M+K]+ 480.97152 190.0
[M+H-H2O]+ 425.00562 191.0
[M+HCOO]- 487.00656 213.7
[M+CH3COO]- 501.02221 227.5
[M+Na-2H]- 462.98303 199.3
[M]+ 442.00781 216.2
[M]- 442.00891 216.2
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.