CID 24846357

Cationul fenotiazinic

Structural Information

Molecular Formula
C16H19NS3
SMILES
C[S+](C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)[S+](C)C
InChI
InChI=1S/C16H19NS3/c1-19(2)11-5-7-13-15(9-11)18-16-10-12(20(3)4)6-8-14(16)17-13/h5-10,17H,1-4H3/q+2
InChIKey
SEJRKXOSKINDBM-UHFFFAOYSA-N
Compound name
(7-dimethylsulfonio-10H-phenothiazin-3-yl)-dimethylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.06796 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07524 148.5
[M+Na]+ 344.05718 164.7
[M+NH4]+ 339.10178 161.1
[M+K]+ 360.03112 154.1
[M-H]- 320.06068 155.6
[M+Na-2H]- 342.04263 156.0
[M]+ 321.06741 155.1
[M]- 321.06851 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.