CID 506260

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

Structural Information

Molecular Formula
C21H19FN4O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2N)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C21H19FN4O3/c22-15-5-3-7-17-18(15)14(12-24-17)19(27)21(29)26-10-8-25(9-11-26)20(28)13-4-1-2-6-16(13)23/h1-7,12,24H,8-11,23H2
InChIKey
WVYWUEUKTGIBFN-UHFFFAOYSA-N
Compound name
1-[4-(2-aminobenzoyl)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

394.1441 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15138 191.7
[M+Na]+ 417.13332 197.5
[M-H]- 393.13682 195.5
[M+NH4]+ 412.17792 199.4
[M+K]+ 433.10726 191.0
[M+H-H2O]+ 377.14136 180.3
[M+HCOO]- 439.14230 204.5
[M+CH3COO]- 453.15795 198.9
[M+Na-2H]- 415.11877 189.4
[M]+ 394.14355 186.2
[M]- 394.14465 186.2
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.