CID 9604762

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

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC1=CC=C(C=C1)/C(=N\OC(=O)C)/C2=C(C3=CC=CC=C3O2)C
InChI
InChI=1S/C19H17NO3/c1-12-8-10-15(11-9-12)18(20-23-14(3)21)19-13(2)16-6-4-5-7-17(16)22-19/h4-11H,1-3H3/b20-18+
InChIKey
BCSPWGMAVOMNPX-CZIZESTLSA-N
Compound name
[(E)-[(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.12085 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 172.2
[M+Na]+ 330.11007 181.3
[M-H]- 306.11357 182.8
[M+NH4]+ 325.15467 189.1
[M+K]+ 346.08401 179.0
[M+H-H2O]+ 290.11811 164.6
[M+HCOO]- 352.11905 197.5
[M+CH3COO]- 366.13470 210.2
[M+Na-2H]- 328.09552 176.0
[M]+ 307.12030 178.4
[M]- 307.12140 178.4
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.