CID 3089

Dimetotiazine

Structural Information

Molecular Formula

C₁₉H₂₅N₃O₂S₂

SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C

InChI

InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3

InChIKey

VWNWVCJGUMZDIU-UHFFFAOYSA-N

Compound name

10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 10
References: 2666
Patents: 391.13882 Da
Monoisotopic Mass: 3.8
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]+	392.14610	187.0
[M+Na]+	414.12804	192.7
[M-H]-	390.13154	191.9
[M+NH4]+	409.17264	200.3
[M+K]+	430.10198	188.9
[M+H-H2O]+	374.13608	179.1
[M+HCOO]-	436.13702	195.2
[M+CH3COO]-	450.15267	230.7
[M+Na-2H]-	412.11349	190.6
[M]+	391.13827	192.8
[M]-	391.13937	192.8

Literature stripe

literature stripe

Patent stripe

patents stripe