CID 218099

40255-64-9

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₂S

SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)OCCO

InChI

InChI=1S/C23H30N2O2S/c1-18-7-8-23-21(17-18)25(20-5-2-3-6-22(20)28-23)12-4-11-24-13-9-19(10-14-24)27-16-15-26/h2-3,5-8,17,19,26H,4,9-16H2,1H3

InChIKey

XCBHCMSVBJHGJI-UHFFFAOYSA-N

Compound name

2-[1-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-yl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 398.2028 Da
Monoisotopic Mass: 4.4
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]+	399.210076	194.6
[M+Na]+	421.192018	198.8
[M-H]-	397.195524	196.7
[M+NH4]+	416.236623	204.5
[M+K]+	437.165958	191.8
[M+H-H2O]+	381.200060	184.4
[M+HCOO]-	443.201001	200.9
[M+CH3COO]-	457.216651	201.1
[M+Na-2H]-	419.177466	195.0
[M]+	398.20225142	194.2
[M]-	398.20334858	194.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.