CID 9688548

2-(2-(5-bromo-2-ethoxybenzylidene)hydrazino)-n-(4-methylphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C18H18BrN3O3
SMILES
CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)C
InChI
InChI=1S/C18H18BrN3O3/c1-3-25-16-9-6-14(19)10-13(16)11-20-22-18(24)17(23)21-15-7-4-12(2)5-8-15/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)/b20-11+
InChIKey
NVOPTTVIYQHEOF-RGVLZGJSSA-N
Compound name
N'-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.05316 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.06044 184.8
[M+Na]+ 426.04238 192.5
[M-H]- 402.04588 194.5
[M+NH4]+ 421.08698 198.9
[M+K]+ 442.01632 180.8
[M+H-H2O]+ 386.05042 180.3
[M+HCOO]- 448.05136 208.3
[M+CH3COO]- 462.06701 225.5
[M+Na-2H]- 424.02783 188.4
[M]+ 403.05261 204.6
[M]- 403.05371 204.6
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.