CID 35940

Brn 0851436

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₂S

SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)OC

InChI

InChI=1S/C23H28N2O2S/c1-17(26)18-8-9-23-21(16-18)25(20-6-3-4-7-22(20)28-23)13-5-12-24-14-10-19(27-2)11-15-24/h3-4,6-9,16,19H,5,10-15H2,1-2H3

InChIKey

JCDADBBKUHSPFI-UHFFFAOYSA-N

Compound name

1-[10-[3-(4-methoxypiperidin-1-yl)propyl]phenothiazin-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.18716 Da
Monoisotopic Mass: 4.0
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]+	397.194436	194.6
[M+Na]+	419.176378	199.2
[M-H]-	395.179884	198.2
[M+NH4]+	414.220983	205.1
[M+K]+	435.150318	193.0
[M+H-H2O]+	379.184420	184.3
[M+HCOO]-	441.185361	201.5
[M+CH3COO]-	455.201011	201.7
[M+Na-2H]-	417.161826	194.3
[M]+	396.18661142	194.8
[M]-	396.18770858	194.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe