CID 60405

Methyl 10-(3-morpholinopropyl)phenothiazin-2-yl ketone

Structural Information

Molecular Formula

C₂₁H₂₄N₂O₂S

SMILES

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCOCC4

InChI

InChI=1S/C21H24N2O2S/c1-16(24)17-7-8-21-19(15-17)23(18-5-2-3-6-20(18)26-21)10-4-9-22-11-13-25-14-12-22/h2-3,5-8,15H,4,9-14H2,1H3

InChIKey

LHIVZMCFFLIJNK-UHFFFAOYSA-N

Compound name

1-[10-(3-morpholin-4-ylpropyl)phenothiazin-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.15585 Da
Monoisotopic Mass: 3.1
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]+	369.163126	185.5
[M+Na]+	391.145068	190.6
[M-H]-	367.148574	190.0
[M+NH4]+	386.189673	195.8
[M+K]+	407.119008	185.8
[M+H-H2O]+	351.153110	175.5
[M+HCOO]-	413.154051	192.5
[M+CH3COO]-	427.169701	193.4
[M+Na-2H]-	389.130516	187.2
[M]+	368.15530142	185.2
[M]-	368.15639858	185.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.