CID 3064141

101976-40-3

Structural Information

Molecular Formula

C₁₇H₂₀N₂S

SMILES

CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C

InChI

InChI=1S/C17H20N2S/c1-4-17(18(2)3)19-13-9-5-7-11-15(13)20-16-12-8-6-10-14(16)19/h5-12,17H,4H2,1-3H3

InChIKey

WNJQAWAODSSBNR-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-phenothiazin-10-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 284.1347 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]+	285.14198	163.4
[M+Na]+	307.12392	177.4
[M+NH4]+	302.16852	174.1
[M+K]+	323.09786	167.0
[M-H]-	283.12742	168.6
[M+Na-2H]-	305.10937	170.6
[M]+	284.13415	167.6
[M]-	284.13525	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe