CID 506352

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

Structural Information

Molecular Formula
C23H19FN4O3
SMILES
C1CN(CCN1C(=O)C2=NC3=CC=CC=C3C2)C(=O)C(=O)C4=CNC5=C4C(=CC=C5)F
InChI
InChI=1S/C23H19FN4O3/c24-16-5-3-7-18-20(16)15(13-25-18)21(29)23(31)28-10-8-27(9-11-28)22(30)19-12-14-4-1-2-6-17(14)26-19/h1-7,13,25H,8-12H2
InChIKey
VQIWIZFMZUEEHQ-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(3H-indole-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1441 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15138 197.4
[M+Na]+ 441.13332 203.9
[M-H]- 417.13682 201.8
[M+NH4]+ 436.17792 205.9
[M+K]+ 457.10726 197.0
[M+H-H2O]+ 401.14136 186.0
[M+HCOO]- 463.14230 208.2
[M+CH3COO]- 477.15795 204.5
[M+Na-2H]- 439.11877 193.7
[M]+ 418.14355 194.3
[M]- 418.14465 194.3
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.