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]+ 500.037096 207.6
[M+Na]+ 522.019038 214.9
[M-H]- 498.022544 219.4
[M+NH4]+ 517.063643 218.2
[M+K]+ 537.992978 201.0
[M+H-H2O]+ 482.027080 202.8
[M+HCOO]- 544.028021 226.2
[M+CH3COO]- 558.043671 239.3
[M+Na-2H]- 520.004486 210.8
[M]+ 499.02927142 229.0
[M]- 499.03036858 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.