CID 154699806

Ns00117537

Structural Information

Molecular Formula
C20H22N2OS
SMILES
C1CN2CCC1(CC2)CN3C4=CC=CC=C4S(=O)C5=CC=CC=C53
InChI
InChI=1S/C20H22N2OS/c23-24-18-7-3-1-5-16(18)22(17-6-2-4-8-19(17)24)15-20-9-12-21(13-10-20)14-11-20/h1-8H,9-15H2
InChIKey
MWWBJGJQWARQIT-UHFFFAOYSA-N
Compound name
10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)phenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1453 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15258 175.5
[M+Na]+ 361.13452 189.6
[M+NH4]+ 356.17912 188.9
[M+K]+ 377.10846 175.5
[M-H]- 337.13802 177.5
[M+Na-2H]- 359.11997 177.7
[M]+ 338.14475 179.0
[M]- 338.14585 179.0
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

No patent data available for this compound.