CID 45055249

3-cl-n-(2-(2-(4-((4-chlorobenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)benzamide

Structural Information

Molecular Formula
C23H19Cl2N3O3
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H19Cl2N3O3/c24-19-8-4-17(5-9-19)15-31-21-10-6-16(7-11-21)13-27-28-22(29)14-26-23(30)18-2-1-3-20(25)12-18/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
XQQXMCRCZWHCAT-UVHMKAGCSA-N
Compound name
3-chloro-N-[2-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.08035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.08763 207.8
[M+Na]+ 478.06957 222.0
[M+NH4]+ 473.11417 214.4
[M+K]+ 494.04351 212.2
[M-H]- 454.07307 214.9
[M+Na-2H]- 476.05502 217.4
[M]+ 455.07980 212.3
[M]- 455.08090 212.3
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.