CID 506247

Chembl492586

Structural Information

Molecular Formula
C22H20ClN3O4
SMILES
COC1=C2C(=CNC2=C(C=C1)Cl)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H20ClN3O4/c1-30-17-8-7-16(23)19-18(17)15(13-24-19)20(27)22(29)26-11-9-25(10-12-26)21(28)14-5-3-2-4-6-14/h2-8,13,24H,9-12H2,1H3
InChIKey
FCDQSRYKNBOBTQ-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(7-chloro-4-methoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

425.11423 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12151 197.5
[M+Na]+ 448.10345 204.1
[M-H]- 424.10695 202.8
[M+NH4]+ 443.14805 205.4
[M+K]+ 464.07739 197.7
[M+H-H2O]+ 408.11149 187.2
[M+HCOO]- 470.11243 206.1
[M+CH3COO]- 484.12808 205.1
[M+Na-2H]- 446.08890 195.2
[M]+ 425.11368 198.5
[M]- 425.11478 198.5
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.