CID 507897

5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1h-indol-7-yl]-n-methyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C26H23FN6O4
SMILES
CNC(=O)C1=C(NN=C1)C2=C3C(=C(C=C2)F)C(=CN3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C26H23FN6O4/c1-28-24(35)18-14-30-31-21(18)16-7-8-19(27)20-17(13-29-22(16)20)23(34)26(37)33-11-9-32(10-12-33)25(36)15-5-3-2-4-6-15/h2-8,13-14,29H,9-12H2,1H3,(H,28,35)(H,30,31)
InChIKey
DSRDCBOUCLRPSU-UHFFFAOYSA-N
Compound name
5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-N-methyl-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.17648 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.18376 213.4
[M+Na]+ 525.16570 217.5
[M-H]- 501.16920 218.2
[M+NH4]+ 520.21030 215.0
[M+K]+ 541.13964 210.7
[M+H-H2O]+ 485.17374 201.4
[M+HCOO]- 547.17468 222.5
[M+CH3COO]- 561.19033 218.1
[M+Na-2H]- 523.15115 207.8
[M]+ 502.17593 209.0
[M]- 502.17703 209.0
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.