CID 9604760

[(e)-[(3-methylbenzofuran-2-yl)-phenyl-methylene]amino] acetate

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC1=C(OC2=CC=CC=C12)/C(=N/OC(=O)C)/C3=CC=CC=C3
InChI
InChI=1S/C18H15NO3/c1-12-15-10-6-7-11-16(15)21-18(12)17(19-22-13(2)20)14-8-4-3-5-9-14/h3-11H,1-2H3/b19-17+
InChIKey
SHHXODPYUPBQEX-HTXNQAPBSA-N
Compound name
[(E)-[(3-methyl-1-benzofuran-2-yl)-phenylmethylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.1052 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 167.6
[M+Na]+ 316.09442 176.1
[M-H]- 292.09792 177.9
[M+NH4]+ 311.13902 184.7
[M+K]+ 332.06836 174.0
[M+H-H2O]+ 276.10246 159.9
[M+HCOO]- 338.10340 193.2
[M+CH3COO]- 352.11905 206.0
[M+Na-2H]- 314.07987 172.6
[M]+ 293.10465 173.0
[M]- 293.10575 173.0
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.