CID 219067

3-(4-(p-fluorophenyl)-1,2,3,6-tetrahydro-1-pyridyl)-1-(1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl)-1-propanone

Structural Information

Molecular Formula
C20H24FN3O2
SMILES
CC1=C(C=NN1CCO)C(=O)CCN2CCC(=CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H24FN3O2/c1-15-19(14-22-24(15)12-13-25)20(26)8-11-23-9-6-17(7-10-23)16-2-4-18(21)5-3-16/h2-6,14,25H,7-13H2,1H3
InChIKey
MBAQRSKEYXLLNY-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

357.18524 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.192516 186.7
[M+Na]+ 380.174458 192.8
[M-H]- 356.177964 189.5
[M+NH4]+ 375.219063 196.2
[M+K]+ 396.148398 186.6
[M+H-H2O]+ 340.182500 175.1
[M+HCOO]- 402.183441 201.2
[M+CH3COO]- 416.199091 213.3
[M+Na-2H]- 378.159906 184.1
[M]+ 357.18469142 184.9
[M]- 357.18578858 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe