CID 218105

40255-67-2

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₂S

SMILES

C1CN(CCC1OCCO)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H26N2O2S/c24-15-16-25-17-9-11-22(12-10-17)13-14-23-18-5-1-3-7-20(18)26-21-8-4-2-6-19(21)23/h1-8,17,24H,9-16H2

InChIKey

FKFBPRUOIQSLQF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 370.1715 Da
Monoisotopic Mass: 3.5
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]+	371.178776	185.1
[M+Na]+	393.160718	189.5
[M-H]-	369.164224	187.3
[M+NH4]+	388.205323	195.9
[M+K]+	409.134658	182.8
[M+H-H2O]+	353.168760	175.2
[M+HCOO]-	415.169701	192.2
[M+CH3COO]-	429.185351	192.2
[M+Na-2H]-	391.146166	187.2
[M]+	370.17095142	183.7
[M]-	370.17204858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe