CID 68846

Dacemazine

Structural Information

Molecular Formula

C₁₆H₁₆N₂OS

SMILES

CN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C16H16N2OS/c1-17(2)11-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-10H,11H2,1-2H3

InChIKey

HKUCYAHWPVLPFN-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-1-phenothiazin-10-ylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 435
Patents: 284.09833 Da
Monoisotopic Mass: 3.1
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]+	285.105606	161.8
[M+Na]+	307.087548	169.2
[M-H]-	283.091054	166.7
[M+NH4]+	302.132153	179.2
[M+K]+	323.061488	165.2
[M+H-H2O]+	267.095590	154.0
[M+HCOO]-	329.096531	176.7
[M+CH3COO]-	343.112181	173.1
[M+Na-2H]-	305.072996	166.7
[M]+	284.09778142	164.5
[M]-	284.09887858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe