CID 3064132

Phenothiazine, 10-(2-(n-2-chloroethyl-n-methyl)aminoethyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂S

SMILES

CN(CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCCl

InChI

InChI=1S/C17H19ClN2S/c1-19(11-10-18)12-13-20-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)20/h2-9H,10-13H2,1H3

InChIKey

YIWVDACHNNPNOO-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-methyl-2-phenothiazin-10-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.09573 Da
Monoisotopic Mass: 4.8
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]+	319.103006	169.2
[M+Na]+	341.084948	176.9
[M-H]-	317.088454	173.6
[M+NH4]+	336.129553	186.3
[M+K]+	357.058888	170.8
[M+H-H2O]+	301.092990	161.8
[M+HCOO]-	363.093931	179.8
[M+CH3COO]-	377.109581	179.9
[M+Na-2H]-	339.070396	174.0
[M]+	318.09518142	174.2
[M]-	318.09627858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.