CID 51060483

2-(2-(2-(benzyloxy)-5-br-benzylidene)hydrazino)-n-(4-ethylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C24H22BrN3O3
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3
InChI
InChI=1S/C24H22BrN3O3/c1-2-17-8-11-21(12-9-17)27-23(29)24(30)28-26-15-19-14-20(25)10-13-22(19)31-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
LPGNLIBNTKHUAV-CVKSISIWSA-N
Compound name
N'-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-N-(4-ethylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.08444 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.09172 204.2
[M+Na]+ 502.07366 207.1
[M+NH4]+ 497.11826 206.7
[M+K]+ 518.04760 205.1
[M-H]- 478.07716 209.1
[M+Na-2H]- 500.05911 209.7
[M]+ 479.08389 204.7
[M]- 479.08499 204.7
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.