CID 6481456

1h-indole-7-carboxamide, 3-[(4-benzoyl-1-piperazinyl)hydroxyacetyl]-4-fluoro-n-methyl-

Structural Information

Molecular Formula
C23H23FN4O4
SMILES
CNC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(N3CCN(CC3)C(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C23H23FN4O4/c1-25-21(30)15-7-8-17(24)18-16(13-26-19(15)18)20(29)23(32)28-11-9-27(10-12-28)22(31)14-5-3-2-4-6-14/h2-8,13,23,26,32H,9-12H2,1H3,(H,25,30)
InChIKey
LBJKYXDQPAPYHC-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-hydroxyacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.17032 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17760 200.9
[M+Na]+ 461.15954 204.6
[M-H]- 437.16304 203.7
[M+NH4]+ 456.20414 206.2
[M+K]+ 477.13348 199.0
[M+H-H2O]+ 421.16758 189.7
[M+HCOO]- 483.16852 211.4
[M+CH3COO]- 497.18417 227.9
[M+Na-2H]- 459.14499 197.7
[M]+ 438.16977 196.2
[M]- 438.17087 196.2
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.