CID 45054771

N'-(4-((4-chlorobenzyl)oxy)benzylidene)-2-iodobenzohydrazide

Structural Information

Molecular Formula
C21H16ClIN2O2
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)I
InChI
InChI=1S/C21H16ClIN2O2/c22-17-9-5-16(6-10-17)14-27-18-11-7-15(8-12-18)13-24-25-21(26)19-3-1-2-4-20(19)23/h1-13H,14H2,(H,25,26)/b24-13+
InChIKey
RRBAVVSHNINBHG-ZMOGYAJESA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.9945 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.00178 207.8
[M+Na]+ 512.98372 215.4
[M+NH4]+ 508.02832 211.3
[M+K]+ 528.95766 208.1
[M-H]- 488.98722 209.1
[M+Na-2H]- 510.96917 205.3
[M]+ 489.99395 208.5
[M]- 489.99505 208.5
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.