CID 2446693

30480-73-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

C1CN=C(SC1)NCC2=CC=CC=C2

InChI

InChI=1S/C11H14N2S/c1-2-5-10(6-3-1)9-13-11-12-7-4-8-14-11/h1-3,5-6H,4,7-9H2,(H,12,13)

InChIKey

KVFOICMSGAUPBK-UHFFFAOYSA-N

Compound name

N-benzyl-5,6-dihydro-4H-1,3-thiazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 206.08777 Da
Monoisotopic Mass: 2.0
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]+	207.09505	142.4
[M+Na]+	229.07699	148.1
[M-H]-	205.08049	147.1
[M+NH4]+	224.12159	160.0
[M+K]+	245.05093	144.1
[M+H-H2O]+	189.08503	134.7
[M+HCOO]-	251.08597	159.7
[M+CH3COO]-	265.10162	154.2
[M+Na-2H]-	227.06244	147.6
[M]+	206.08722	139.6
[M]-	206.08832	139.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.