CID 113922

63834-18-4

Structural Information

Molecular Formula

C₁₉H₂₀N₂OS

SMILES

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N4CCCC4

InChI

InChI=1S/C19H20N2OS/c1-14(20-12-6-7-13-20)19(22)21-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)21/h2-5,8-11,14H,6-7,12-13H2,1H3

InChIKey

AUXLHDRYVJNWFW-UHFFFAOYSA-N

Compound name

1-phenothiazin-10-yl-2-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.12964 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]+	325.136916	175.4
[M+Na]+	347.118858	181.6
[M-H]-	323.122364	180.3
[M+NH4]+	342.163463	190.9
[M+K]+	363.092798	176.2
[M+H-H2O]+	307.126900	167.2
[M+HCOO]-	369.127841	185.2
[M+CH3COO]-	383.143491	184.8
[M+Na-2H]-	345.104306	175.1
[M]+	324.12909142	174.2
[M]-	324.13018858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.