CID 369387

1,2-dimethyl-phenothiazone

Structural Information

Molecular Formula

C₁₄H₁₁NOS

SMILES

CC1=C(C2=NC3=CC=CC=C3SC2=CC1=O)C

InChI

InChI=1S/C14H11NOS/c1-8-9(2)14-13(7-11(8)16)17-12-6-4-3-5-10(12)15-14/h3-7H,1-2H3

InChIKey

HUPHNKJOBUKSOA-UHFFFAOYSA-N

Compound name

1,2-dimethylphenothiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.05614 Da
Monoisotopic Mass: 2.8
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]+	242.06342	148.5
[M+Na]+	264.04536	160.8
[M-H]-	240.04886	153.7
[M+NH4]+	259.08996	168.3
[M+K]+	280.01930	155.3
[M+H-H2O]+	224.05340	141.9
[M+HCOO]-	286.05434	165.1
[M+CH3COO]-	300.06999	162.2
[M+Na-2H]-	262.03081	155.0
[M]+	241.05559	152.9
[M]-	241.05669	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe