CID 86302305

1-[(3-methylpyridin-4-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C17H15F3N2O
SMILES
CC1=C(C=CN=C1)CN2CC(CC2=O)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C17H15F3N2O/c1-10-7-21-3-2-11(10)8-22-9-13(6-16(22)23)12-4-14(18)17(20)15(19)5-12/h2-5,7,13H,6,8-9H2,1H3
InChIKey
RFSDYRVOGWHOFT-UHFFFAOYSA-N
Compound name
1-[(3-methylpyridin-4-yl)methyl]-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

320.11365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12093 171.8
[M+Na]+ 343.10287 182.3
[M-H]- 319.10637 175.8
[M+NH4]+ 338.14747 185.6
[M+K]+ 359.07681 175.6
[M+H-H2O]+ 303.11091 160.0
[M+HCOO]- 365.11185 188.9
[M+CH3COO]- 379.12750 209.0
[M+Na-2H]- 341.08832 169.6
[M]+ 320.11310 168.2
[M]- 320.11420 168.2
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

patents stripe