CID 216010

37004-69-6

Structural Information

Molecular Formula

C₁₂H₁₅NS

SMILES

C1CCC2C(C1)NC3=CC=CC=C3S2

InChI

InChI=1S/C12H15NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1,3,5,7,10,12-13H,2,4,6,8H2

InChIKey

GCAFFHUTHFEBEP-UHFFFAOYSA-N

Compound name

2,3,4,4a,10,10a-hexahydro-1H-phenothiazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 205.09251 Da
Monoisotopic Mass: 3.5
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]+	206.099786	140.0
[M+Na]+	228.081728	145.8
[M-H]-	204.085234	141.4
[M+NH4]+	223.126333	159.5
[M+K]+	244.055668	140.9
[M+H-H2O]+	188.089770	133.7
[M+HCOO]-	250.090711	149.9
[M+CH3COO]-	264.106361	150.8
[M+Na-2H]-	226.067176	145.4
[M]+	205.09196142	134.5
[M]-	205.09305858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe