CID 506385

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

Structural Information

Molecular Formula
C19H15F2N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=CO2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)F
InChI
InChI=1S/C19H15F2N3O4/c20-12-3-4-13(21)16-15(12)11(10-22-16)17(25)19(27)24-7-5-23(6-8-24)18(26)14-2-1-9-28-14/h1-4,9-10,22H,5-8H2
InChIKey
PKBYUHDTKSIVNQ-UHFFFAOYSA-N
Compound name
1-(4,7-difluoro-1H-indol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.10306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11034 186.0
[M+Na]+ 410.09228 193.5
[M-H]- 386.09578 190.5
[M+NH4]+ 405.13688 195.3
[M+K]+ 426.06622 189.2
[M+H-H2O]+ 370.10032 175.6
[M+HCOO]- 432.10126 198.3
[M+CH3COO]- 446.11691 194.6
[M+Na-2H]- 408.07773 181.8
[M]+ 387.10251 183.5
[M]- 387.10361 183.5
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.