CID 507958

Schembl6441836

Structural Information

Molecular Formula
C22H18FN7O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NOC(=N5)N
InChI
InChI=1S/C22H18FN7O4/c23-14-5-4-12(19-27-22(24)34-28-19)17-16(14)13(11-26-17)18(31)21(33)30-9-7-29(8-10-30)20(32)15-3-1-2-6-25-15/h1-6,11,26H,7-10H2,(H2,24,27,28)
InChIKey
XKPSRJBNCRODMN-UHFFFAOYSA-N
Compound name
1-[7-(5-amino-1,2,4-oxadiazol-3-yl)-4-fluoro-1H-indol-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

463.14044 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14772 203.9
[M+Na]+ 486.12966 210.7
[M-H]- 462.13316 209.4
[M+NH4]+ 481.17426 205.0
[M+K]+ 502.10360 205.0
[M+H-H2O]+ 446.13770 191.4
[M+HCOO]- 508.13864 213.6
[M+CH3COO]- 522.15429 210.0
[M+Na-2H]- 484.11511 200.0
[M]+ 463.13989 201.3
[M]- 463.14099 201.3
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.