CID 101650227

Ns00117101

Structural Information

Molecular Formula

C₂₀H₂₃F₃N₂OS

SMILES

CN(C)CCCCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2OS/c1-24(2)12-6-3-7-13-25-16-8-4-5-9-18(16)27(26)19-11-10-15(14-17(19)25)20(21,22)23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3

InChIKey

GRTMVBFSTRAPKU-UHFFFAOYSA-N

Compound name

N,N-dimethyl-5-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.14832 Da
Monoisotopic Mass: 4.6
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]+	397.155596	191.1
[M+Na]+	419.137538	199.0
[M-H]-	395.141044	191.7
[M+NH4]+	414.182143	204.3
[M+K]+	435.111478	192.8
[M+H-H2O]+	379.145580	180.1
[M+HCOO]-	441.146521	200.6
[M+CH3COO]-	455.162171	227.7
[M+Na-2H]-	417.122986	192.6
[M]+	396.14777142	192.7
[M]-	396.14886858	192.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.