CID 9633123

2-(2-(5-bromo-2-methoxybenzylidene)hydrazino)-n-(3-methoxyphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C17H16BrN3O4
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(=O)NC2=CC(=CC=C2)OC
InChI
InChI=1S/C17H16BrN3O4/c1-24-14-5-3-4-13(9-14)20-16(22)17(23)21-19-10-11-8-12(18)6-7-15(11)25-2/h3-10H,1-2H3,(H,20,22)(H,21,23)/b19-10+
InChIKey
PXKZFPLALDKOKC-VXLYETTFSA-N
Compound name
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.0324 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.03968 182.2
[M+Na]+ 428.02162 190.1
[M-H]- 404.02512 192.1
[M+NH4]+ 423.06622 196.1
[M+K]+ 443.99556 179.3
[M+H-H2O]+ 388.02966 177.7
[M+HCOO]- 450.03060 206.2
[M+CH3COO]- 464.04625 224.8
[M+Na-2H]- 426.00707 186.5
[M]+ 405.03185 203.0
[M]- 405.03295 203.0
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.