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 167.9
[M+Na]+ 361.13452 172.2
[M-H]- 337.13802 165.4
[M+NH4]+ 356.17912 186.4
[M+K]+ 377.10846 166.5
[M+H-H2O]+ 321.14256 157.3
[M+HCOO]- 383.14350 168.7
[M+CH3COO]- 397.15915 174.8
[M+Na-2H]- 359.11997 178.6
[M]+ 338.14475 169.2
[M]- 338.14585 169.2
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.