CID 3064146

101976-45-8

Structural Information

Molecular Formula

C₁₉H₂₂N₂OS

SMILES

CN1CCCC(C1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)OC

InChI

InChI=1S/C19H22N2OS/c1-20-11-5-6-14(13-20)21-16-7-3-4-8-18(16)23-19-10-9-15(22-2)12-17(19)21/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3

InChIKey

KOKXQKMPRYOMBT-UHFFFAOYSA-N

Compound name

2-methoxy-10-(1-methylpiperidin-3-yl)phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.1453 Da
Monoisotopic Mass: 4.3
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]+	327.152576	175.1
[M+Na]+	349.134518	182.0
[M-H]-	325.138024	179.6
[M+NH4]+	344.179123	189.0
[M+K]+	365.108458	176.0
[M+H-H2O]+	309.142560	165.5
[M+HCOO]-	371.143501	184.2
[M+CH3COO]-	385.159151	184.3
[M+Na-2H]-	347.119966	177.5
[M]+	326.14475142	173.9
[M]-	326.14584858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe