CID 82096

2-methylthiophenothiazine

Structural Information

Molecular Formula
C13H11NS2
SMILES
CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2
InChI
InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChIKey
OBVKBOLDEFIQDP-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

203
Patents

245.0333 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04058 144.3
[M+Na]+ 268.02252 154.0
[M-H]- 244.02602 146.7
[M+NH4]+ 263.06712 163.0
[M+K]+ 283.99646 147.1
[M+H-H2O]+ 228.03056 138.8
[M+HCOO]- 290.03150 152.9
[M+CH3COO]- 304.04715 156.0
[M+Na-2H]- 266.00797 150.0
[M]+ 245.03275 144.9
[M]- 245.03385 144.9
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

patents stripe