CID 506415

Chembl522665

Structural Information

Molecular Formula
C22H21N3O3
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H21N3O3/c1-23-15-18(17-9-5-6-10-19(17)23)20(26)22(28)25-13-11-24(12-14-25)21(27)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
InChIKey
BQMOORMQCXINHT-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(1-methylindol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

375.1583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16558 189.5
[M+Na]+ 398.14752 195.2
[M-H]- 374.15102 195.9
[M+NH4]+ 393.19212 199.1
[M+K]+ 414.12146 189.9
[M+H-H2O]+ 358.15556 178.4
[M+HCOO]- 420.15650 204.0
[M+CH3COO]- 434.17215 198.0
[M+Na-2H]- 396.13297 188.4
[M]+ 375.15775 188.1
[M]- 375.15885 188.1
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.