CID 65650

Litoxetine

Structural Information

Molecular Formula
C16H19NO
SMILES
C1CNCCC1OCC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
InChIKey
MJJDYOLPMGIWND-UHFFFAOYSA-N
Compound name
4-(naphthalen-2-ylmethoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2593
Patents

241.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 157.4
[M+Na]+ 264.13589 171.4
[M+NH4]+ 259.18049 167.2
[M+K]+ 280.10983 162.4
[M-H]- 240.13939 162.3
[M+Na-2H]- 262.12134 165.6
[M]+ 241.14612 160.8
[M]- 241.14722 160.8
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

patents stripe