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]+ 322.075236 155.1
[M+Na]+ 344.057178 161.5
[M-H]- 320.060684 156.4
[M+NH4]+ 339.101783 169.2
[M+K]+ 360.031118 143.8
[M+H-H2O]+ 304.065220 154.6
[M+HCOO]- 366.066161 154.1
[M+CH3COO]- 380.081811 194.4
[M+Na-2H]- 342.042626 161.2
[M]+ 321.06741142 151.9
[M]- 321.06850858 151.9
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.