CID 506248

Chembl493738

Structural Information

Molecular Formula
C23H23N3O4
SMILES
CCOC1=CC=CC2=C1C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O4/c1-2-30-19-10-6-9-18-20(19)17(15-24-18)21(27)23(29)26-13-11-25(12-14-26)22(28)16-7-4-3-5-8-16/h3-10,15,24H,2,11-14H2,1H3
InChIKey
UVQHGZDUSVOXFT-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

405.16885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 196.2
[M+Na]+ 428.15807 200.7
[M-H]- 404.16157 201.1
[M+NH4]+ 423.20267 203.7
[M+K]+ 444.13201 195.3
[M+H-H2O]+ 388.16611 185.2
[M+HCOO]- 450.16705 209.1
[M+CH3COO]- 464.18270 203.4
[M+Na-2H]- 426.14352 194.5
[M]+ 405.16830 194.7
[M]- 405.16940 194.7
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.