CID 3532154

4-(4-chlorophenoxymethyl)-1,3-thiazol-2-amine hydrochloride

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
C1=CC(=CC=C1OCC2=CSC(=N2)N)Cl
InChI
InChI=1S/C10H9ClN2OS/c11-7-1-3-9(4-2-7)14-5-8-6-15-10(12)13-8/h1-4,6H,5H2,(H2,12,13)
InChIKey
ITWPIFDUTSFMLN-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

240.0124 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01968 149.0
[M+Na]+ 263.00162 162.5
[M+NH4]+ 258.04622 158.5
[M+K]+ 278.97556 154.8
[M-H]- 239.00512 153.3
[M+Na-2H]- 260.98707 156.9
[M]+ 240.01185 152.9
[M]- 240.01295 152.9
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.