CID 19396

Oxomemazine

Structural Information

Molecular Formula

C₁₈H₂₂N₂O₂S

SMILES

CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C

InChI

InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3

InChIKey

QTQPVLDZQVPLGV-UHFFFAOYSA-N

Compound name

3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 15
References: 1018
Patents: 330.1402 Da
Monoisotopic Mass: 3.4
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]+	331.14748	173.8
[M+Na]+	353.12942	181.9
[M-H]-	329.13292	178.7
[M+NH4]+	348.17402	191.4
[M+K]+	369.10336	177.9
[M+H-H2O]+	313.13746	166.0
[M+HCOO]-	375.13840	188.1
[M+CH3COO]-	389.15405	214.8
[M+Na-2H]-	351.11487	178.4
[M]+	330.13965	178.7
[M]-	330.14075	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe