CID 506354

Chembl567890

Structural Information

Molecular Formula
C18H15FN4O3S
SMILES
C1CN(CCN1C(=O)C2=CSC=N2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C18H15FN4O3S/c19-12-2-1-3-13-15(12)11(8-20-13)16(24)18(26)23-6-4-22(5-7-23)17(25)14-9-27-10-21-14/h1-3,8-10,20H,4-7H2
InChIKey
HJHLFRALOIPOMA-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.0849 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09218 186.6
[M+Na]+ 409.07412 194.4
[M-H]- 385.07762 190.6
[M+NH4]+ 404.11872 196.8
[M+K]+ 425.04806 189.0
[M+H-H2O]+ 369.08216 177.6
[M+HCOO]- 431.08310 195.4
[M+CH3COO]- 445.09875 195.0
[M+Na-2H]- 407.05957 181.8
[M]+ 386.08435 185.9
[M]- 386.08545 185.9
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.