CID 506223

Chembl524010

Structural Information

Molecular Formula
C21H18FN3O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=CC(=C4)F
InChI
InChI=1S/C21H18FN3O3/c22-15-6-7-16-17(13-23-18(16)12-15)19(26)21(28)25-10-8-24(9-11-25)20(27)14-4-2-1-3-5-14/h1-7,12-13,23H,8-11H2
InChIKey
DPGSZXRFIARKKL-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

379.1332 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14048 188.0
[M+Na]+ 402.12242 193.8
[M-H]- 378.12592 191.8
[M+NH4]+ 397.16702 196.6
[M+K]+ 418.09636 187.4
[M+H-H2O]+ 362.13046 176.5
[M+HCOO]- 424.13140 200.3
[M+CH3COO]- 438.14705 195.7
[M+Na-2H]- 400.10787 186.5
[M]+ 379.13265 183.5
[M]- 379.13375 183.5
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

patents stripe