CID 2345498

100253-53-0

Structural Information

Molecular Formula

C₁₂H₁₆N₂OS

SMILES

CCOC1=CC=C(C=C1)NC2=NCCCS2

InChI

InChI=1S/C12H16N2OS/c1-2-15-11-6-4-10(5-7-11)14-12-13-8-3-9-16-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)

InChIKey

GUTMGLXKZQVYEY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 236.09833 Da
Monoisotopic Mass: 2.4
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]+	237.105606	150.6
[M+Na]+	259.087548	156.6
[M-H]-	235.091054	155.5
[M+NH4]+	254.132153	167.2
[M+K]+	275.061488	152.8
[M+H-H2O]+	219.095590	142.6
[M+HCOO]-	281.096531	167.7
[M+CH3COO]-	295.112181	190.4
[M+Na-2H]-	257.072996	154.7
[M]+	236.09778142	149.9
[M]-	236.09887858	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.