CID 16095349

Centanafadine

Structural Information

Molecular Formula
C15H15N
SMILES
C1[C@H]2[C@@]1(CNC2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C15H15N/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15/h1-7,14,16H,8-10H2/t14-,15+/m1/s1
InChIKey
HKHCSWPSUSWGLI-CABCVRRESA-N
Compound name
(1R,5S)-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

238
Patents

209.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12773 151.0
[M+Na]+ 232.10967 166.5
[M+NH4]+ 227.15427 163.8
[M+K]+ 248.08361 158.8
[M-H]- 208.11317 162.6
[M+Na-2H]- 230.09512 161.9
[M]+ 209.11990 158.0
[M]- 209.12100 158.0
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