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

226
Patents

209.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.127726 148.1
[M+Na]+ 232.109668 158.1
[M-H]- 208.113174 154.3
[M+NH4]+ 227.154273 165.6
[M+K]+ 248.083608 152.5
[M+H-H2O]+ 192.117710 141.3
[M+HCOO]- 254.118651 166.9
[M+CH3COO]- 268.134301 160.2
[M+Na-2H]- 230.095116 155.1
[M]+ 209.11990142 147.3
[M]- 209.12099858 147.3
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