CID 507810

Schembl6442528

Structural Information

Molecular Formula
C24H19FN4O3S
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NC=CS5
InChI
InChI=1S/C24H19FN4O3S/c25-18-7-6-16(22-26-8-13-33-22)20-19(18)17(14-27-20)21(30)24(32)29-11-9-28(10-12-29)23(31)15-4-2-1-3-5-15/h1-8,13-14,27H,9-12H2
InChIKey
QQURLZHUSRJSHG-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1,3-thiazol-2-yl)-1H-indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

462.11618 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12346 206.0
[M+Na]+ 485.10540 213.1
[M-H]- 461.10890 213.1
[M+NH4]+ 480.15000 212.7
[M+K]+ 501.07934 206.1
[M+H-H2O]+ 445.11344 195.9
[M+HCOO]- 507.11438 214.1
[M+CH3COO]- 521.13003 213.0
[M+Na-2H]- 483.09085 200.0
[M]+ 462.11563 205.1
[M]- 462.11673 205.1
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.