CID 547559

Promazine sulfoxide

Structural Information

Molecular Formula

C₁₇H₂₀N₂OS

SMILES

CN(C)CCCN1C2=CC=CC=C2S(=O)C3=CC=CC=C31

InChI

InChI=1S/C17H20N2OS/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)21(20)17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3

InChIKey

KSHDHDWHIWBNHA-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(5-oxophenothiazin-10-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 300.12964 Da
Monoisotopic Mass: 3.3
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]+	301.13692	166.6
[M+Na]+	323.11886	174.7
[M-H]-	299.12236	171.6
[M+NH4]+	318.16346	183.7
[M+K]+	339.09280	169.9
[M+H-H2O]+	283.12690	158.6
[M+HCOO]-	345.12784	182.1
[M+CH3COO]-	359.14349	177.9
[M+Na-2H]-	321.10431	171.3
[M]+	300.12909	170.7
[M]-	300.13019	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe