CID 218309

40474-44-0

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₂S

SMILES

C1CN(CCC1OCCO)CCCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C22H28N2O2S/c25-16-17-26-18-10-14-23(15-11-18)12-5-13-24-19-6-1-3-8-21(19)27-22-9-4-2-7-20(22)24/h1-4,6-9,18,25H,5,10-17H2

InChIKey

ZCZFZLQONKOVLS-UHFFFAOYSA-N

Compound name

2-[1-(3-phenothiazin-10-ylpropyl)piperidin-4-yl]oxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 384.18716 Da
Monoisotopic Mass: 3.7
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	189.2
[M+Na]+	407.176378	193.1
[M-H]-	383.179884	191.3
[M+NH4]+	402.220983	199.5
[M+K]+	423.150318	186.3
[M+H-H2O]+	367.184420	179.1
[M+HCOO]-	429.185361	196.0
[M+CH3COO]-	443.201011	195.9
[M+Na-2H]-	405.161826	190.9
[M]+	384.18661142	188.2
[M]-	384.18770858	188.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe