CID 2423956

N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C12H16N2OS
SMILES
COC1=CC=C(C=C1)CCNC2=NCCS2
InChI
InChI=1S/C12H16N2OS/c1-15-11-4-2-10(3-5-11)6-7-13-12-14-8-9-16-12/h2-5H,6-9H2,1H3,(H,13,14)
InChIKey
WOBMKEGHBJRELE-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

236.09833 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10561 151.6
[M+Na]+ 259.08755 158.8
[M-H]- 235.09105 157.1
[M+NH4]+ 254.13215 170.3
[M+K]+ 275.06149 155.3
[M+H-H2O]+ 219.09559 144.2
[M+HCOO]- 281.09653 171.1
[M+CH3COO]- 295.11218 189.9
[M+Na-2H]- 257.07300 154.0
[M]+ 236.09778 153.3
[M]- 236.09888 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.