CID 51060873

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

Structural Information

Molecular Formula
C23H19BrClN3O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H19BrClN3O3/c24-19-6-3-5-17(12-19)23(30)26-14-22(29)28-27-13-18-4-1-2-7-21(18)31-15-16-8-10-20(25)11-9-16/h1-13H,14-15H2,(H,26,30)(H,28,29)/b27-13+
InChIKey
ZLYFFSJTUCGFCY-UVHMKAGCSA-N
Compound name
3-bromo-N-[2-[(2E)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.02982 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.03710 207.6
[M+Na]+ 522.01904 214.9
[M-H]- 498.02254 219.4
[M+NH4]+ 517.06364 218.2
[M+K]+ 537.99298 201.0
[M+H-H2O]+ 482.02708 202.8
[M+HCOO]- 544.02802 226.2
[M+CH3COO]- 558.04367 239.3
[M+Na-2H]- 520.00449 210.8
[M]+ 499.02927 229.0
[M]- 499.03037 229.0
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.