CID 46781929

145356-32-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂OS

SMILES

CC1=CC(=CC(=C1NC2=NCCCS2)C)O

InChI

InChI=1S/C12H16N2OS/c1-8-6-10(15)7-9(2)11(8)14-12-13-4-3-5-16-12/h6-7,15H,3-5H2,1-2H3,(H,13,14)

InChIKey

FXWQWFCVDXMJNM-UHFFFAOYSA-N

Compound name

4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 236.09833 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]+	237.10561	151.2
[M+Na]+	259.08755	158.5
[M-H]-	235.09105	155.4
[M+NH4]+	254.13215	167.7
[M+K]+	275.06149	153.8
[M+H-H2O]+	219.09559	144.0
[M+HCOO]-	281.09653	166.7
[M+CH3COO]-	295.11218	190.2
[M+Na-2H]-	257.07300	153.4
[M]+	236.09778	149.5
[M]-	236.09888	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe