CID 506366

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

Structural Information

Molecular Formula
C20H18FN3O4
SMILES
CC1=C(OC=C1)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C20H18FN3O4/c1-12-5-10-28-18(12)20(27)24-8-6-23(7-9-24)19(26)17(25)13-11-22-15-4-2-3-14(21)16(13)15/h2-5,10-11,22H,6-9H2,1H3
InChIKey
KDYREMRHHYODMA-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.12814 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13542 187.8
[M+Na]+ 406.11736 194.8
[M-H]- 382.12086 193.5
[M+NH4]+ 401.16196 197.4
[M+K]+ 422.09130 190.9
[M+H-H2O]+ 366.12540 178.2
[M+HCOO]- 428.12634 200.8
[M+CH3COO]- 442.14199 196.6
[M+Na-2H]- 404.10281 183.7
[M]+ 383.12759 186.6
[M]- 383.12869 186.6
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.