CID 667799

10-(phenoxyacetyl)-10h-phenothiazine

Structural Information

Molecular Formula

C₂₀H₁₅NO₂S

SMILES

C1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H15NO2S/c22-20(14-23-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2

InChIKey

GMEIPDIZUYTPOX-UHFFFAOYSA-N

Compound name

1-phenothiazin-10-yl-2-phenoxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 0
Patents: 333.08234 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]+	334.08962	174.5
[M+Na]+	356.07156	182.1
[M-H]-	332.07506	180.9
[M+NH4]+	351.11616	188.9
[M+K]+	372.04550	176.1
[M+H-H2O]+	316.07960	165.4
[M+HCOO]-	378.08054	188.3
[M+CH3COO]-	392.09619	184.7
[M+Na-2H]-	354.05701	179.9
[M]+	333.08179	176.5
[M]-	333.08289	176.5

Literature stripe

literature stripe

Patent stripe

patents stripe