CID 506283

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

Structural Information

Molecular Formula
C21H18FN3O4
SMILES
C1CN(CCN1C(=O)C2=CC(=CC=C2)O)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C21H18FN3O4/c22-16-5-2-6-17-18(16)15(12-23-17)19(27)21(29)25-9-7-24(8-10-25)20(28)13-3-1-4-14(26)11-13/h1-6,11-12,23,26H,7-10H2
InChIKey
RMLWCMHIRGUNSM-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(3-hydroxybenzoyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.12814 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13542 190.8
[M+Na]+ 418.11736 196.8
[M-H]- 394.12086 193.8
[M+NH4]+ 413.16196 198.3
[M+K]+ 434.09130 190.5
[M+H-H2O]+ 378.12540 179.8
[M+HCOO]- 440.12634 201.8
[M+CH3COO]- 454.14199 198.0
[M+Na-2H]- 416.10281 188.4
[M]+ 395.12759 186.4
[M]- 395.12869 186.4
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.