CID 9651887

Chembl4440943

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=CC=C2OC)OC
InChI
InChI=1S/C17H18N2O4/c1-21-14-7-5-4-6-13(14)11-18-19-17(20)12-8-9-15(22-2)16(10-12)23-3/h4-11H,1-3H3,(H,19,20)/b18-11+
InChIKey
GLYFYCBXNOAXNX-WOJGMQOQSA-N
Compound name
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 173.3
[M+Na]+ 337.11587 185.6
[M+NH4]+ 332.16047 179.8
[M+K]+ 353.08981 178.9
[M-H]- 313.11937 177.7
[M+Na-2H]- 335.10132 181.1
[M]+ 314.12610 176.1
[M]- 314.12720 176.1
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.