CID 68223

Fenethazine

Structural Information

Molecular Formula

C₁₆H₁₈N₂S

SMILES

CN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C16H18N2S/c1-17(2)11-12-18-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3

InChIKey

PFAXACNYGZVKMX-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-phenothiazin-10-ylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 790
Patents: 270.11908 Da
Monoisotopic Mass: 4.2
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]+	271.126356	158.6
[M+Na]+	293.108298	166.2
[M-H]-	269.111804	163.4
[M+NH4]+	288.152903	176.8
[M+K]+	309.082238	161.7
[M+H-H2O]+	253.116340	150.7
[M+HCOO]-	315.117281	174.2
[M+CH3COO]-	329.132931	170.2
[M+Na-2H]-	291.093746	164.4
[M]+	270.11853142	161.2
[M]-	270.11962858	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe