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 155.1
[M+Na]+ 344.05718 161.5
[M-H]- 320.06068 156.4
[M+NH4]+ 339.10178 169.2
[M+K]+ 360.03112 143.8
[M+H-H2O]+ 304.06522 154.6
[M+HCOO]- 366.06616 154.1
[M+CH3COO]- 380.08181 194.4
[M+Na-2H]- 342.04263 161.2
[M]+ 321.06741 151.9
[M]- 321.06851 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.