CID 218103

40255-66-1

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₂S

SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N4CCC(CC4)OCCO

InChI

InChI=1S/C22H28N2O2S/c1-17(23-12-10-18(11-13-23)26-15-14-25)16-24-19-6-2-4-8-21(19)27-22-9-5-3-7-20(22)24/h2-9,17-18,25H,10-16H2,1H3

InChIKey

VIEJQWHRAWWBPF-UHFFFAOYSA-N

Compound name

2-[1-(1-phenothiazin-10-ylpropan-2-yl)piperidin-4-yl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 384.18716 Da
Monoisotopic Mass: 4.5
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]+	385.194436	189.4
[M+Na]+	407.176378	192.9
[M-H]-	383.179884	191.5
[M+NH4]+	402.220983	199.6
[M+K]+	423.150318	186.7
[M+H-H2O]+	367.184420	179.6
[M+HCOO]-	429.185361	195.2
[M+CH3COO]-	443.201011	196.0
[M+Na-2H]-	405.161826	190.2
[M]+	384.18661142	187.9
[M]-	384.18770858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe