CID 508015

1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-[4-fluoro-7-(1,2,4-oxadiazol-5-yl)-1h-indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C23H17ClFN5O4
SMILES
C1CN(CCN1C(=O)C2=CC(=CC=C2)Cl)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NC=NO5
InChI
InChI=1S/C23H17ClFN5O4/c24-14-3-1-2-13(10-14)22(32)29-6-8-30(9-7-29)23(33)20(31)16-11-26-19-15(21-27-12-28-34-21)4-5-17(25)18(16)19/h1-5,10-12,26H,6-9H2
InChIKey
SEMQQIDSJPSQQG-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-[4-fluoro-7-(1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.0953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.10258 207.4
[M+Na]+ 504.08452 215.3
[M-H]- 480.08802 213.8
[M+NH4]+ 499.12912 210.5
[M+K]+ 520.05846 209.0
[M+H-H2O]+ 464.09256 195.0
[M+HCOO]- 526.09350 213.0
[M+CH3COO]- 540.10915 214.0
[M+Na-2H]- 502.06997 202.3
[M]+ 481.09475 208.2
[M]- 481.09585 208.2
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.