CID 90134

2-(methylsulfonyl)-10h-phenothiazine

Structural Information

Molecular Formula

C₁₃H₁₁NO₂S₂

SMILES

CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2

InChI

InChI=1S/C13H11NO2S2/c1-18(15,16)9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17-13/h2-8,14H,1H3

InChIKey

XMSALNTWEPZQLO-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-10H-phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 277.02313 Da
Monoisotopic Mass: 3.4
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]+	278.03041	155.7
[M+Na]+	300.01235	169.3
[M+NH4]+	295.05695	165.2
[M+K]+	315.98629	158.6
[M-H]-	276.01585	158.1
[M+Na-2H]-	297.99780	161.7
[M]+	277.02258	159.4
[M]-	277.02368	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe