CID 9690947

2-(2-(2,5-dimethoxybenzylidene)hydrazino)-2-oxo-n-phenylacetamide

Structural Information

Molecular Formula
C17H17N3O4
SMILES
COC1=CC(=C(C=C1)OC)/C=N/NC(=O)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H17N3O4/c1-23-14-8-9-15(24-2)12(10-14)11-18-20-17(22)16(21)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21)(H,20,22)/b18-11+
InChIKey
VLXGTCQWIRYSEW-WOJGMQOQSA-N
Compound name
N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 174.9
[M+Na]+ 350.11114 179.9
[M-H]- 326.11464 182.9
[M+NH4]+ 345.15574 188.2
[M+K]+ 366.08508 178.1
[M+H-H2O]+ 310.11918 165.4
[M+HCOO]- 372.12012 202.2
[M+CH3COO]- 386.13577 216.1
[M+Na-2H]- 348.09659 179.3
[M]+ 327.12137 177.5
[M]- 327.12247 177.5
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.