CID 99296

2,4-xylidinothiazoline

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

CC1=CC(=C(C=C1)NC2=NCCS2)C

InChI

InChI=1S/C11H14N2S/c1-8-3-4-10(9(2)7-8)13-11-12-5-6-14-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)

InChIKey

PMDCFIKMSPLBMG-UHFFFAOYSA-N

Compound name

N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 206.08777 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]+	207.09505	144.9
[M+Na]+	229.07699	157.3
[M+NH4]+	224.12159	154.7
[M+K]+	245.05093	149.7
[M-H]-	205.08049	149.7
[M+Na-2H]-	227.06244	152.5
[M]+	206.08722	148.5
[M]-	206.08832	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe