CID 506384

1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4,7-difluoro-1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C19H14BrF2N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(O2)Br)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F
InChI
InChI=1S/C19H14BrF2N3O4/c20-14-4-3-13(29-14)18(27)24-5-7-25(8-6-24)19(28)17(26)10-9-23-16-12(22)2-1-11(21)15(10)16/h1-4,9,23H,5-8H2
InChIKey
PRHKDMUUKNZGNH-UHFFFAOYSA-N
Compound name
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2-(4,7-difluoro-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.01358 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.02086 200.0
[M+Na]+ 488.00280 210.6
[M-H]- 464.00630 207.2
[M+NH4]+ 483.04740 210.7
[M+K]+ 503.97674 199.6
[M+H-H2O]+ 448.01084 197.0
[M+HCOO]- 510.01178 210.5
[M+CH3COO]- 524.02743 209.9
[M+Na-2H]- 485.98825 196.1
[M]+ 465.01303 216.4
[M]- 465.01413 216.4
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.