CID 131682

Safinamide

Structural Information

Molecular Formula
C17H19FN2O2
SMILES
C[C@@H](C(=O)N)NCC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
InChI
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1
InChIKey
NEMGRZFTLSKBAP-LBPRGKRZSA-N
Compound name
(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

256
References

4515
Patents

302.14307 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15035 171.4
[M+Na]+ 325.13229 181.9
[M+NH4]+ 320.17689 177.8
[M+K]+ 341.10623 175.5
[M-H]- 301.13579 174.5
[M+Na-2H]- 323.11774 178.1
[M]+ 302.14252 173.5
[M]- 302.14362 173.5
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