CID 507884

Schembl6445443

Structural Information

Molecular Formula
C24H20FN5O4
SMILES
CC1=NC(=NO1)C2=C3C(=C(C=C2)F)C(=CN3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H20FN5O4/c1-14-27-22(28-34-14)16-7-8-18(25)19-17(13-26-20(16)19)21(31)24(33)30-11-9-29(10-12-30)23(32)15-5-3-2-4-6-15/h2-8,13,26H,9-12H2,1H3
InChIKey
WUEPTQNNODUFID-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

461.14993 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.15721 206.5
[M+Na]+ 484.13915 213.3
[M-H]- 460.14265 213.0
[M+NH4]+ 479.18375 209.5
[M+K]+ 500.11309 207.8
[M+H-H2O]+ 444.14719 194.2
[M+HCOO]- 506.14813 216.3
[M+CH3COO]- 520.16378 213.1
[M+Na-2H]- 482.12460 201.2
[M]+ 461.14938 205.3
[M]- 461.15048 205.3
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.