CID 2133441

380349-35-9

Structural Information

Molecular Formula

C₁₂H₁₆N₂S

SMILES

CCC1=CC=C(C=C1)NC2=NCCCS2

InChI

InChI=1S/C12H16N2S/c1-2-10-4-6-11(7-5-10)14-12-13-8-3-9-15-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)

InChIKey

OSKCNZZSIHVFTH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 220.10342 Da
Monoisotopic Mass: 2.9
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	147.1
[M+Na]+	243.09264	153.3
[M-H]-	219.09614	152.0
[M+NH4]+	238.13724	164.4
[M+K]+	259.06658	149.0
[M+H-H2O]+	203.10068	139.4
[M+HCOO]-	265.10162	164.0
[M+CH3COO]-	279.11727	158.8
[M+Na-2H]-	241.07809	151.1
[M]+	220.10287	145.0
[M]-	220.10397	145.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.