CID 506388

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

Structural Information

Molecular Formula
C20H14F5N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(O2)C(F)(F)F)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F
InChI
InChI=1S/C20H14F5N3O4/c21-11-1-2-12(22)16-15(11)10(9-26-16)17(29)19(31)28-7-5-27(6-8-28)18(30)13-3-4-14(32-13)20(23,24)25/h1-4,9,26H,5-8H2
InChIKey
SLWHPDYNXSAHAE-UHFFFAOYSA-N
Compound name
1-(4,7-difluoro-1H-indol-3-yl)-2-[4-[5-(trifluoromethyl)furan-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.09045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.09773 199.0
[M+Na]+ 478.07967 207.4
[M-H]- 454.08317 200.1
[M+NH4]+ 473.12427 205.8
[M+K]+ 494.05361 202.3
[M+H-H2O]+ 438.08771 186.9
[M+HCOO]- 500.08865 206.1
[M+CH3COO]- 514.10430 226.7
[M+Na-2H]- 476.06512 193.4
[M]+ 455.08990 193.5
[M]- 455.09100 193.5
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.