CID 16046068

Raxatrigine

Structural Information

Molecular Formula
C18H19FN2O2
SMILES
C1C[C@H](N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N
InChI
InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1
InChIKey
JESCETIFNOFKEU-SJORKVTESA-N
Compound name
(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

665
Patents

314.14307 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15035 175.7
[M+Na]+ 337.13229 186.3
[M+NH4]+ 332.17689 182.1
[M+K]+ 353.10623 181.5
[M-H]- 313.13579 178.9
[M+Na-2H]- 335.11774 182.0
[M]+ 314.14252 177.8
[M]- 314.14362 177.8
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

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