CID 9578778

Ajemudqxnzkylp-xtqsdgftsa-n

Structural Information

Molecular Formula
C22H15NO3
SMILES
C1=CC=C(C=C1)/C(=N\OC(=O)C2=CC=CC=C2)/C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C22H15NO3/c24-22(17-11-5-2-6-12-17)26-23-21(16-9-3-1-4-10-16)20-15-18-13-7-8-14-19(18)25-20/h1-15H/b23-21+
InChIKey
AJEMUDQXNZKYLP-XTQSDGFTSA-N
Compound name
[(E)-[1-benzofuran-2-yl(phenyl)methylidene]amino] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1052 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11248 180.1
[M+Na]+ 364.09442 187.1
[M-H]- 340.09792 192.8
[M+NH4]+ 359.13902 194.1
[M+K]+ 380.06836 183.7
[M+H-H2O]+ 324.10246 170.8
[M+HCOO]- 386.10340 205.4
[M+CH3COO]- 400.11905 192.0
[M+Na-2H]- 362.07987 185.7
[M]+ 341.10465 183.6
[M]- 341.10575 183.6
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.