CID 28315

Desmonomethylpromazine

Structural Information

Molecular Formula

C₁₆H₁₈N₂S

SMILES

CNCCCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C16H18N2S/c1-17-11-6-12-18-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)18/h2-5,7-10,17H,6,11-12H2,1H3

InChIKey

WOCOVPRTRIBGFZ-UHFFFAOYSA-N

Compound name

N-methyl-3-phenothiazin-10-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 11
Patents: 270.11908 Da
Monoisotopic Mass: 4.1
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]+	271.12636	159.3
[M+Na]+	293.10830	173.7
[M+NH4]+	288.15290	170.0
[M+K]+	309.08224	162.1
[M-H]-	269.11180	164.3
[M+Na-2H]-	291.09375	166.7
[M]+	270.11853	163.4
[M]-	270.11963	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe