CID 506361

Chembl569017

Structural Information

Molecular Formula
C20H17FN4O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C20H17FN4O3/c21-14-4-3-6-15-17(14)13(12-23-15)18(26)20(28)25-10-8-24(9-11-25)19(27)16-5-1-2-7-22-16/h1-7,12,23H,8-11H2
InChIKey
RZCVBTSHHQTRBB-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

380.12848 Da
Monoisotopic Mass

1.7
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

patents stripe