CID 465681

Chembl417183

Structural Information

Molecular Formula
C23H16ClNO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C23H16ClNO3/c24-17-10-11-22(18(13-17)23(27)15-6-2-1-3-7-15)28-14-21(26)20-12-16-8-4-5-9-19(16)25-20/h1-13,25H,14H2
InChIKey
UJCPFIBGORBIRP-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenoxy)-1-(1H-indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.08188 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.08916 191.0
[M+Na]+ 412.07110 199.7
[M-H]- 388.07460 199.4
[M+NH4]+ 407.11570 203.3
[M+K]+ 428.04504 191.9
[M+H-H2O]+ 372.07914 181.9
[M+HCOO]- 434.08008 206.9
[M+CH3COO]- 448.09573 201.1
[M+Na-2H]- 410.05655 192.4
[M]+ 389.08133 195.3
[M]- 389.08243 195.3
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.