CID 198707

Lanperisone

Structural Information

Molecular Formula
C15H18F3NO
SMILES
C[C@H](CN1CCCC1)C(=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H18F3NO/c1-11(10-19-8-2-3-9-19)14(20)12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKey
RYZCWZZJFAKYHX-LLVKDONJSA-N
Compound name
(2R)-2-methyl-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

684
Patents

285.13406 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14134 170.5
[M+Na]+ 308.12328 177.4
[M+NH4]+ 303.16788 175.3
[M+K]+ 324.09722 173.9
[M-H]- 284.12678 167.6
[M+Na-2H]- 306.10873 173.1
[M]+ 285.13351 170.2
[M]- 285.13461 170.2
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