CID 9672203

2-(2-(5-br-2-methoxybenzylidene)hydrazino)-n-(2,3-dichlorophenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C16H12BrCl2N3O3
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(=O)NC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C16H12BrCl2N3O3/c1-25-13-6-5-10(17)7-9(13)8-20-22-16(24)15(23)21-12-4-2-3-11(18)14(12)19/h2-8H,1H3,(H,21,23)(H,22,24)/b20-8+
InChIKey
YYJOWDFJNIKTQY-DNTJNYDQSA-N
Compound name
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(2,3-dichlorophenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.9439 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.95118 186.7
[M+Na]+ 465.93312 197.9
[M-H]- 441.93662 196.5
[M+NH4]+ 460.97772 201.2
[M+K]+ 481.90706 183.6
[M+H-H2O]+ 425.94116 184.7
[M+HCOO]- 487.94210 201.9
[M+CH3COO]- 501.95775 228.0
[M+Na-2H]- 463.91857 189.9
[M]+ 442.94335 209.7
[M]- 442.94445 209.7
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.