CID 506364

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

Structural Information

Molecular Formula
C23H18FN3O4
SMILES
C1CN(CCN1C(=O)C2=CC3=CC=CC=C3O2)C(=O)C(=O)C4=CNC5=C4C(=CC=C5)F
InChI
InChI=1S/C23H18FN3O4/c24-16-5-3-6-17-20(16)15(13-25-17)21(28)23(30)27-10-8-26(9-11-27)22(29)19-12-14-4-1-2-7-18(14)31-19/h1-7,12-13,25H,8-11H2
InChIKey
LWWHLTXVTURDRT-UHFFFAOYSA-N
Compound name
1-[4-(1-benzofuran-2-carbonyl)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

419.12814 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.13542 195.8
[M+Na]+ 442.11736 203.4
[M-H]- 418.12086 202.6
[M+NH4]+ 437.16196 204.5
[M+K]+ 458.09130 198.3
[M+H-H2O]+ 402.12540 185.6
[M+HCOO]- 464.12634 208.6
[M+CH3COO]- 478.14199 204.2
[M+Na-2H]- 440.10281 193.5
[M]+ 419.12759 195.7
[M]- 419.12869 195.7
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.