CID 26430

Methiomeprazine

Structural Information

Molecular Formula

C₁₉H₂₄N₂S₂

SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)SC)CN(C)C

InChI

InChI=1S/C19H24N2S2/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3

InChIKey

AQMNNXSLDLIGII-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-3-(2-methylsulfanylphenothiazin-10-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 76
Patents: 344.1381 Da
Monoisotopic Mass: 5.2
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]+	345.145376	174.8
[M+Na]+	367.127318	181.4
[M-H]-	343.130824	178.6
[M+NH4]+	362.171923	190.3
[M+K]+	383.101258	175.7
[M+H-H2O]+	327.135360	167.2
[M+HCOO]-	389.136301	182.6
[M+CH3COO]-	403.151951	184.3
[M+Na-2H]-	365.112766	176.5
[M]+	344.13755142	179.2
[M]-	344.13864858	179.2

Literature stripe

literature stripe

Patent stripe

patents stripe