CID 506357

Chembl569037

Structural Information

Molecular Formula
C20H17FN4O3
SMILES
C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C20H17FN4O3/c21-15-4-1-5-16-17(15)14(12-23-16)18(26)20(28)25-9-7-24(8-10-25)19(27)13-3-2-6-22-11-13/h1-6,11-12,23H,7-10H2
InChIKey
IWMGCZQYVHFHGI-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.12848 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13576 187.6
[M+Na]+ 403.11770 193.8
[M-H]- 379.12120 190.3
[M+NH4]+ 398.16230 194.8
[M+K]+ 419.09164 187.4
[M+H-H2O]+ 363.12574 175.5
[M+HCOO]- 425.12668 198.9
[M+CH3COO]- 439.14233 194.9
[M+Na-2H]- 401.10315 186.7
[M]+ 380.12793 183.4
[M]- 380.12903 183.4
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.