CID 506362

Chembl584923

Structural Information

Molecular Formula
C19H16FN3O4
SMILES
C1CN(CCN1C(=O)C2=COC=C2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C19H16FN3O4/c20-14-2-1-3-15-16(14)13(10-21-15)17(24)19(26)23-7-5-22(6-8-23)18(25)12-4-9-27-11-12/h1-4,9-11,21H,5-8H2
InChIKey
ADBOUHIRUDAKOD-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1125 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11978 182.8
[M+Na]+ 392.10172 189.4
[M-H]- 368.10522 188.3
[M+NH4]+ 387.14632 192.6
[M+K]+ 408.07566 185.6
[M+H-H2O]+ 352.10976 173.1
[M+HCOO]- 414.11070 196.2
[M+CH3COO]- 428.12635 191.7
[M+Na-2H]- 390.08717 179.9
[M]+ 369.11195 180.9
[M]- 369.11305 180.9
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.