CID 506208

Chembl567033

Structural Information

Molecular Formula
C21H19N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(C=C2)O)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H19N3O4/c25-15-7-5-14(6-8-15)20(27)23-9-11-24(12-10-23)21(28)19(26)17-13-22-18-4-2-1-3-16(17)18/h1-8,13,22,25H,9-12H2
InChIKey
LWIAVZOZLIFDLD-UHFFFAOYSA-N
Compound name
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.13754 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14482 187.4
[M+Na]+ 400.12676 192.4
[M-H]- 376.13026 191.4
[M+NH4]+ 395.17136 195.4
[M+K]+ 416.10070 186.7
[M+H-H2O]+ 360.13480 177.2
[M+HCOO]- 422.13574 199.5
[M+CH3COO]- 436.15139 194.9
[M+Na-2H]- 398.11221 186.4
[M]+ 377.13699 183.6
[M]- 377.13809 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.