CID 506439

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-1-(3-pyridylmethyl)indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C27H23FN4O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)CC5=CN=CC=C5
InChI
InChI=1S/C27H23FN4O3/c28-22-9-4-10-23-24(22)21(18-32(23)17-19-6-5-11-29-16-19)25(33)27(35)31-14-12-30(13-15-31)26(34)20-7-2-1-3-8-20/h1-11,16,18H,12-15,17H2
InChIKey
YZRKWSRTHQPUEN-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-1-(pyridin-3-ylmethyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1754 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18268 212.8
[M+Na]+ 493.16462 217.9
[M-H]- 469.16812 219.3
[M+NH4]+ 488.20922 216.2
[M+K]+ 509.13856 210.4
[M+H-H2O]+ 453.17266 198.2
[M+HCOO]- 515.17360 223.9
[M+CH3COO]- 529.18925 218.6
[M+Na-2H]- 491.15007 210.0
[M]+ 470.17485 210.0
[M]- 470.17595 210.0
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.