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: 192
Patents: 245.0333 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.04058	145.5
[M+Na]+	268.02252	160.5
[M+NH4]+	263.06712	157.0
[M+K]+	283.99646	148.0
[M-H]-	244.02602	150.1
[M+Na-2H]-	266.00797	152.7
[M]+	245.03275	150.2
[M]-	245.03385	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe