CID 9604763

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

Structural Information

Molecular Formula
C24H19NO3
SMILES
CC1=CC=C(C=C1)/C(=N\OC(=O)C2=CC=CC=C2)/C3=C(C4=CC=CC=C4O3)C
InChI
InChI=1S/C24H19NO3/c1-16-12-14-18(15-13-16)22(25-28-24(26)19-8-4-3-5-9-19)23-17(2)20-10-6-7-11-21(20)27-23/h3-15H,1-2H3/b25-22+
InChIKey
IDMUCZDYBUCYJI-YYDJUVGSSA-N
Compound name
[(E)-[(3-methyl-1-benzofuran-2-yl)-(4-methylphenyl)methylidene]amino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1365 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14378 190.1
[M+Na]+ 392.12572 198.0
[M-H]- 368.12922 203.3
[M+NH4]+ 387.17032 203.6
[M+K]+ 408.09966 194.4
[M+H-H2O]+ 352.13376 180.7
[M+HCOO]- 414.13470 214.6
[M+CH3COO]- 428.15035 201.8
[M+Na-2H]- 390.11117 193.1
[M]+ 369.13595 195.1
[M]- 369.13705 195.1
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.