CID 506358

Chembl569284

Structural Information

Molecular Formula
C18H15FN4O4
SMILES
C1CN(CCN1C(=O)C2=CC=NO2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C18H15FN4O4/c19-12-2-1-3-13-15(12)11(10-20-13)16(24)18(26)23-8-6-22(7-9-23)17(25)14-4-5-21-27-14/h1-5,10,20H,6-9H2
InChIKey
JJOBWIGNMWSLSN-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.10773 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11501 182.1
[M+Na]+ 393.09695 189.0
[M-H]- 369.10045 186.4
[M+NH4]+ 388.14155 190.5
[M+K]+ 409.07089 185.3
[M+H-H2O]+ 353.10499 171.7
[M+HCOO]- 415.10593 194.4
[M+CH3COO]- 429.12158 190.7
[M+Na-2H]- 391.08240 179.5
[M]+ 370.10718 180.3
[M]- 370.10828 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.