CID 3024937

Brn 0041721

Structural Information

Molecular Formula

C₂₀H₂₅N₃OS

SMILES

CCN(CC)CCNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C20H25N3OS/c1-3-22(4-2)14-13-21-15-20(24)23-16-9-5-7-11-18(16)25-19-12-8-6-10-17(19)23/h5-12,21H,3-4,13-15H2,1-2H3

InChIKey

UPRAHISULZFIQU-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethylamino]-1-phenothiazin-10-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.17184 Da
Monoisotopic Mass: 3.4
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]+	356.179116	182.0
[M+Na]+	378.161058	186.6
[M-H]-	354.164564	185.8
[M+NH4]+	373.205663	196.0
[M+K]+	394.134998	181.7
[M+H-H2O]+	338.169100	173.1
[M+HCOO]-	400.170041	196.4
[M+CH3COO]-	414.185691	222.8
[M+Na-2H]-	376.146506	185.8
[M]+	355.17129142	185.3
[M]-	355.17238858	185.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.