CID 9604761

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

Structural Information

Molecular Formula
C23H17NO3
SMILES
CC1=C(OC2=CC=CC=C12)/C(=N/OC(=O)C3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/C23H17NO3/c1-16-19-14-8-9-15-20(19)26-22(16)21(17-10-4-2-5-11-17)24-27-23(25)18-12-6-3-7-13-18/h2-15H,1H3/b24-21+
InChIKey
GOKCGTXHNUJENO-DARPEHSRSA-N
Compound name
[(E)-[(3-methyl-1-benzofuran-2-yl)-phenylmethylidene]amino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.12085 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12813 185.1
[M+Na]+ 378.11007 192.6
[M-H]- 354.11357 198.1
[M+NH4]+ 373.15467 198.9
[M+K]+ 394.08401 189.1
[M+H-H2O]+ 338.11811 175.8
[M+HCOO]- 400.11905 210.1
[M+CH3COO]- 414.13470 196.9
[M+Na-2H]- 376.09552 189.4
[M]+ 355.12030 189.4
[M]- 355.12140 189.4
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.