CID 506369

Zinc03591226

Structural Information

Molecular Formula
C19H15ClFN3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(O2)Cl)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C19H15ClFN3O4/c20-15-5-4-14(28-15)18(26)23-6-8-24(9-7-23)19(27)17(25)11-10-22-13-3-1-2-12(21)16(11)13/h1-5,10,22H,6-9H2
InChIKey
LQPNBWAUOPNNPT-UHFFFAOYSA-N
Compound name
1-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.07352 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08080 189.8
[M+Na]+ 426.06274 197.9
[M-H]- 402.06624 195.4
[M+NH4]+ 421.10734 199.4
[M+K]+ 442.03668 192.8
[M+H-H2O]+ 386.07078 180.4
[M+HCOO]- 448.07172 198.5
[M+CH3COO]- 462.08737 198.6
[M+Na-2H]- 424.04819 185.7
[M]+ 403.07297 190.5
[M]- 403.07407 190.5
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.