CID 506365

1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4-fluoro-1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C19H15BrFN3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(O2)Br)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C19H15BrFN3O4/c20-15-5-4-14(28-15)18(26)23-6-8-24(9-7-23)19(27)17(25)11-10-22-13-3-1-2-12(21)16(11)13/h1-5,10,22H,6-9H2
InChIKey
FXPUWNCOJDGJPP-UHFFFAOYSA-N
Compound name
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.023 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.03028 195.9
[M+Na]+ 470.01222 205.6
[M-H]- 446.01572 204.0
[M+NH4]+ 465.05682 207.1
[M+K]+ 485.98616 195.2
[M+H-H2O]+ 430.02026 193.6
[M+HCOO]- 492.02120 207.5
[M+CH3COO]- 506.03685 206.2
[M+Na-2H]- 467.99767 193.3
[M]+ 447.02245 212.9
[M]- 447.02355 212.9
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.