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 203.1
[M+Na]+ 512.98372 202.8
[M-H]- 488.98722 205.6
[M+NH4]+ 508.02832 210.3
[M+K]+ 528.95766 202.1
[M+H-H2O]+ 472.99176 189.4
[M+HCOO]- 534.99270 219.2
[M+CH3COO]- 549.00835 229.1
[M+Na-2H]- 510.96917 194.5
[M]+ 489.99395 203.4
[M]- 489.99505 203.4
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.