CID 57235

3-n-butyryl-10-(3'-morpholinopropyl)phenothiazin

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₂S

SMILES

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

InChI

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

InChIKey

UHDGFGHAZFXBCG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.18716 Da
Monoisotopic Mass: 3.9
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	194.1
[M+Na]+	419.176378	198.2
[M-H]-	395.179884	198.1
[M+NH4]+	414.220983	203.2
[M+K]+	435.150318	193.0
[M+H-H2O]+	379.184420	183.7
[M+HCOO]-	441.185361	200.4
[M+CH3COO]-	455.201011	201.1
[M+Na-2H]-	417.161826	194.8
[M]+	396.18661142	194.3
[M]-	396.18770858	194.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.