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]+ 371.115006 182.1
[M+Na]+ 393.096948 189.0
[M-H]- 369.100454 186.4
[M+NH4]+ 388.141553 190.5
[M+K]+ 409.070888 185.3
[M+H-H2O]+ 353.104990 171.7
[M+HCOO]- 415.105931 194.4
[M+CH3COO]- 429.121581 190.7
[M+Na-2H]- 391.082396 179.5
[M]+ 370.10718142 180.3
[M]- 370.10827858 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.