CID 506387

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

Structural Information

Molecular Formula
C19H13Cl2F2N3O4
SMILES
C1CN(CCN1C(=O)C2=C(C(=CO2)Cl)Cl)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F
InChI
InChI=1S/C19H13Cl2F2N3O4/c20-10-8-30-17(14(10)21)19(29)26-5-3-25(4-6-26)18(28)16(27)9-7-24-15-12(23)2-1-11(22)13(9)15/h1-2,7-8,24H,3-6H2
InChIKey
FPDHYPDVJMWEQC-UHFFFAOYSA-N
Compound name
1-[4-(3,4-dichlorofuran-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

455.02512 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.03240 197.5
[M+Na]+ 478.01434 207.6
[M-H]- 454.01784 201.8
[M+NH4]+ 473.05894 206.1
[M+K]+ 493.98828 201.4
[M+H-H2O]+ 438.02238 188.0
[M+HCOO]- 500.02332 200.1
[M+CH3COO]- 514.03897 205.6
[M+Na-2H]- 475.99979 191.0
[M]+ 455.02457 199.5
[M]- 455.02567 199.5
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.