CID 58214

Butyrophenone, 4'-fluoro-4-(4-(1-indolinyl)-1,2,5,6-tetrahydro-1-pyridyl)-

Structural Information

Molecular Formula
C23H25FN2O
SMILES
C1CN(CC=C1N2CCC3=CC=CC=C32)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H25FN2O/c24-20-9-7-19(8-10-20)23(27)6-3-14-25-15-12-21(13-16-25)26-17-11-18-4-1-2-5-22(18)26/h1-2,4-5,7-10,12H,3,6,11,13-17H2
InChIKey
GPHWEUBRJNLKFC-UHFFFAOYSA-N
Compound name
4-[4-(2,3-dihydroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1951 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20238 190.1
[M+Na]+ 387.18432 194.7
[M-H]- 363.18782 195.3
[M+NH4]+ 382.22892 201.6
[M+K]+ 403.15826 187.6
[M+H-H2O]+ 347.19236 178.0
[M+HCOO]- 409.19330 204.3
[M+CH3COO]- 423.20895 198.0
[M+Na-2H]- 385.16977 188.4
[M]+ 364.19455 185.8
[M]- 364.19565 185.8
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.