CID 9578777

[(e)-[benzofuran-2-yl(phenyl)methylene]amino] acetate

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC(=O)O/N=C(\C1=CC=CC=C1)/C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C17H13NO3/c1-12(19)21-18-17(13-7-3-2-4-8-13)16-11-14-9-5-6-10-15(14)20-16/h2-11H,1H3/b18-17+
InChIKey
ZIGVQFBZJDOSAA-ISLYRVAYSA-N
Compound name
[(E)-[1-benzofuran-2-yl(phenyl)methylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.08954 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.8
[M+Na]+ 302.07876 170.9
[M-H]- 278.08226 172.9
[M+NH4]+ 297.12336 180.2
[M+K]+ 318.05270 169.0
[M+H-H2O]+ 262.08680 155.1
[M+HCOO]- 324.08774 188.8
[M+CH3COO]- 338.10339 201.8
[M+Na-2H]- 300.06421 169.1
[M]+ 279.08899 167.5
[M]- 279.09009 167.5
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.