CID 5340774

2-[(2e)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-n-(3-methoxyphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C17H15N3O5
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C17H15N3O5/c1-23-13-4-2-3-12(8-13)19-16(21)17(22)20-18-9-11-5-6-14-15(7-11)25-10-24-14/h2-9H,10H2,1H3,(H,19,21)(H,20,22)/b18-9+
InChIKey
GBORKTDHYOITRN-GIJQJNRQSA-N
Compound name
N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(3-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

341.10117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10845 179.3
[M+Na]+ 364.09039 188.7
[M+NH4]+ 359.13499 184.8
[M+K]+ 380.06433 186.1
[M-H]- 340.09389 185.5
[M+Na-2H]- 362.07584 183.5
[M]+ 341.10062 181.9
[M]- 341.10172 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.