CID 9578784

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

Structural Information

Molecular Formula
C22H14ClNO3
SMILES
C1=CC=C(C=C1)C(=O)O/N=C(\C2=CC=C(C=C2)Cl)/C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C22H14ClNO3/c23-18-12-10-15(11-13-18)21(20-14-17-8-4-5-9-19(17)26-20)24-27-22(25)16-6-2-1-3-7-16/h1-14H/b24-21+
InChIKey
YUGRWLANYHPHHP-DARPEHSRSA-N
Compound name
[(E)-[1-benzofuran-2-yl-(4-chlorophenyl)methylidene]amino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.06622 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.07350 188.9
[M+Na]+ 398.05544 197.7
[M-H]- 374.05894 201.7
[M+NH4]+ 393.10004 202.8
[M+K]+ 414.02938 192.8
[M+H-H2O]+ 358.06348 180.1
[M+HCOO]- 420.06442 209.6
[M+CH3COO]- 434.08007 200.6
[M+Na-2H]- 396.04089 193.1
[M]+ 375.06567 195.4
[M]- 375.06677 195.4
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.