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 165.6
[M+Na]+ 298.15777 171.7
[M-H]- 274.16127 168.9
[M+NH4]+ 293.20237 180.5
[M+K]+ 314.13171 167.3
[M+H-H2O]+ 258.16581 156.3
[M+HCOO]- 320.16675 183.1
[M+CH3COO]- 334.18240 202.5
[M+Na-2H]- 296.14322 166.1
[M]+ 275.16800 163.5
[M]- 275.16910 163.5
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.