CID 215506

35806-04-3

Structural Information

Molecular Formula
C17H22FNO
SMILES
CC1=C(CN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C17H22FNO/c1-13-9-11-19(12-14(13)2)10-3-4-17(20)15-5-7-16(18)8-6-15/h5-8H,3-4,9-12H2,1-2H3
InChIKey
YTBYOARACYFONN-UHFFFAOYSA-N
Compound name
4-(4,5-dimethyl-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

275.16855 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17583 168.3
[M+Na]+ 298.15777 180.9
[M+NH4]+ 293.20237 175.7
[M+K]+ 314.13171 172.9
[M-H]- 274.16127 170.7
[M+Na-2H]- 296.14322 174.4
[M]+ 275.16800 170.7
[M]- 275.16910 170.7
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.