CID 9604767

[(e)-[(4-chlorophenyl)-(3-methylbenzofuran-2-yl)methylene]amino] benzoate

Structural Information

Molecular Formula
C23H16ClNO3
SMILES
CC1=C(OC2=CC=CC=C12)/C(=N/OC(=O)C3=CC=CC=C3)/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H16ClNO3/c1-15-19-9-5-6-10-20(19)27-22(15)21(16-11-13-18(24)14-12-16)25-28-23(26)17-7-3-2-4-8-17/h2-14H,1H3/b25-21+
InChIKey
DMADWBCIAHEIHJ-NJNXFGOHSA-N
Compound name
[(E)-[(4-chlorophenyl)-(3-methyl-1-benzofuran-2-yl)methylidene]amino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.08188 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.08916 193.9
[M+Na]+ 412.07110 203.1
[M-H]- 388.07460 207.0
[M+NH4]+ 407.11570 207.5
[M+K]+ 428.04504 198.1
[M+H-H2O]+ 372.07914 185.1
[M+HCOO]- 434.08008 214.2
[M+CH3COO]- 448.09573 205.5
[M+Na-2H]- 410.05655 196.8
[M]+ 389.08133 201.2
[M]- 389.08243 201.2
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.