CID 169959

37707-23-6

Structural Information

Molecular Formula

C₁₆H₁₈N₂S

SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)NC

InChI

InChI=1S/C16H18N2S/c1-12(17-2)11-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10,12,17H,11H2,1-2H3

InChIKey

IJOZCCILCJIHOA-UHFFFAOYSA-N

Compound name

N-methyl-1-phenothiazin-10-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 63
Patents: 270.11908 Da
Monoisotopic Mass: 4.3
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]+	271.12636	158.1
[M+Na]+	293.10830	165.3
[M-H]-	269.11180	161.5
[M+NH4]+	288.15290	175.6
[M+K]+	309.08224	159.9
[M+H-H2O]+	253.11634	150.7
[M+HCOO]-	315.11728	172.2
[M+CH3COO]-	329.13293	169.1
[M+Na-2H]-	291.09375	163.7
[M]+	270.11853	159.0
[M]-	270.11963	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe