CID 2363238

522606-42-4

Structural Information

Molecular Formula

C₁₂H₁₆N₂S

SMILES

C1CN=C(SC1)NCCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2S/c1-2-5-11(6-3-1)7-9-14-12-13-8-4-10-15-12/h1-3,5-6H,4,7-10H2,(H,13,14)

InChIKey

YCRNQRBHURSBNE-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 220.10342 Da
Monoisotopic Mass: 2.5
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]+	221.11070	146.7
[M+Na]+	243.09264	152.0
[M-H]-	219.09614	151.2
[M+NH4]+	238.13724	163.7
[M+K]+	259.06658	147.7
[M+H-H2O]+	203.10068	138.8
[M+HCOO]-	265.10162	163.7
[M+CH3COO]-	279.11727	158.1
[M+Na-2H]-	241.07809	151.5
[M]+	220.10287	144.3
[M]-	220.10397	144.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.