CID 506228

Chembl494349

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CCC1=C2C(=CC=C1)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O3/c1-2-16-9-6-10-18-19(15-24-20(16)18)21(27)23(29)26-13-11-25(12-14-26)22(28)17-7-4-3-5-8-17/h3-10,15,24H,2,11-14H2,1H3
InChIKey
SOJNRYBLJMNPPN-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(7-ethyl-1H-indol-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 193.9
[M+Na]+ 412.16317 198.7
[M-H]- 388.16667 198.7
[M+NH4]+ 407.20777 202.2
[M+K]+ 428.13711 192.4
[M+H-H2O]+ 372.17121 183.0
[M+HCOO]- 434.17215 206.6
[M+CH3COO]- 448.18780 201.2
[M+Na-2H]- 410.14862 191.9
[M]+ 389.17340 191.0
[M]- 389.17450 191.0
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.