CID 506218

Chembl493934

Structural Information

Molecular Formula
C21H18FN3O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C3C=C(C=C4)F
InChI
InChI=1S/C21H18FN3O3/c22-15-6-7-18-16(12-15)17(13-23-18)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
OXTPRTIEPINELH-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.