CID 9578781

[(e)-[benzofuran-2-yl-(4-methoxyphenyl)methylene]amino] acetate

Structural Information

Molecular Formula
C18H15NO4
SMILES
CC(=O)O/N=C(\C1=CC=C(C=C1)OC)/C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C18H15NO4/c1-12(20)23-19-18(13-7-9-15(21-2)10-8-13)17-11-14-5-3-4-6-16(14)22-17/h3-11H,1-2H3/b19-18+
InChIKey
ZSWXCHLFZDGOOF-VHEBQXMUSA-N
Compound name
[(E)-[1-benzofuran-2-yl-(4-methoxyphenyl)methylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1001 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.107376 170.4
[M+Na]+ 332.089318 178.8
[M-H]- 308.092824 180.8
[M+NH4]+ 327.133923 186.8
[M+K]+ 348.063258 177.4
[M+H-H2O]+ 292.097360 162.6
[M+HCOO]- 354.098301 196.2
[M+CH3COO]- 368.113951 208.1
[M+Na-2H]- 330.074766 175.6
[M]+ 309.09955142 177.3
[M]- 309.10064858 177.3
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.