CID 199279

3-methylphenothiazine

Structural Information

Molecular Formula

C₁₃H₁₁NS

SMILES

CC1=CC2=C(C=C1)NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11NS/c1-9-6-7-11-13(8-9)15-12-5-3-2-4-10(12)14-11/h2-8,14H,1H3

InChIKey

ZTZUBEWGBTVCHW-UHFFFAOYSA-N

Compound name

3-methyl-10H-phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 213.06122 Da
Monoisotopic Mass: 4.5
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]+	214.06850	142.5
[M+Na]+	236.05044	158.3
[M+NH4]+	231.09504	153.9
[M+K]+	252.02438	147.3
[M-H]-	212.05394	147.0
[M+Na-2H]-	234.03589	150.4
[M]+	213.06067	146.8
[M]-	213.06177	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe