CID 24808495

(3,3-dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone

Structural Information

Molecular Formula
C20H23FN2O
SMILES
CC1=C(C=C(C=C1)C2=NC(=CC=C2)C(=O)N3CCCC(C3)(C)C)F
InChI
InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3
InChIKey
SIDDLTBLAQYZIZ-UHFFFAOYSA-N
Compound name
(3,3-dimethylpiperidin-1-yl)-[6-(3-fluoro-4-methylphenyl)pyridin-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

326.17944 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18672 179.5
[M+Na]+ 349.16866 186.5
[M-H]- 325.17216 184.9
[M+NH4]+ 344.21326 192.6
[M+K]+ 365.14260 181.1
[M+H-H2O]+ 309.17670 168.2
[M+HCOO]- 371.17764 194.5
[M+CH3COO]- 385.19329 210.4
[M+Na-2H]- 347.15411 180.1
[M]+ 326.17889 175.5
[M]- 326.17999 175.5
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