CID 506419

Chembl493011

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CCN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O3/c1-2-24-16-19(18-10-6-7-11-20(18)24)21(27)23(29)26-14-12-25(13-15-26)22(28)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3
InChIKey
FRGJEKCSHYOZQT-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(1-ethylindol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.17395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 194.0
[M+Na]+ 412.16317 199.2
[M-H]- 388.16667 200.1
[M+NH4]+ 407.20777 202.9
[M+K]+ 428.13711 193.7
[M+H-H2O]+ 372.17121 182.6
[M+HCOO]- 434.17215 208.1
[M+CH3COO]- 448.18780 201.9
[M+Na-2H]- 410.14862 192.3
[M]+ 389.17340 192.8
[M]- 389.17450 192.8
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.