CID 6481455

3-[2-(4-benzoylpiperazin-1-yl)acetyl]-4-fluoro-n-methyl-1h-indole-7-carboxamide

Structural Information

Molecular Formula
C23H23FN4O3
SMILES
CNC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23FN4O3/c1-25-22(30)16-7-8-18(24)20-17(13-26-21(16)20)19(29)14-27-9-11-28(12-10-27)23(31)15-5-3-2-4-6-15/h2-8,13,26H,9-12,14H2,1H3,(H,25,30)
InChIKey
XFEWZUZXVYXINV-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)acetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1754 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18268 199.8
[M+Na]+ 445.16462 204.5
[M-H]- 421.16812 203.6
[M+NH4]+ 440.20922 206.6
[M+K]+ 461.13856 198.0
[M+H-H2O]+ 405.17266 187.9
[M+HCOO]- 467.17360 212.5
[M+CH3COO]- 481.18925 206.3
[M+Na-2H]- 443.15007 197.5
[M]+ 422.17485 195.8
[M]- 422.17595 195.8
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.