CID 54593344

1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H16N2OS
SMILES
CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(C)N
InChI
InChI=1S/C13H16N2OS/c1-8(14)12-9(2)15-13(17-12)10-4-6-11(16-3)7-5-10/h4-8H,14H2,1-3H3
InChIKey
NWPHOKSRSZCFLY-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09833 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10561 155.6
[M+Na]+ 271.08755 164.7
[M-H]- 247.09105 161.6
[M+NH4]+ 266.13215 174.1
[M+K]+ 287.06149 160.8
[M+H-H2O]+ 231.09559 148.6
[M+HCOO]- 293.09653 174.4
[M+CH3COO]- 307.11218 195.8
[M+Na-2H]- 269.07300 154.9
[M]+ 248.09778 158.4
[M]- 248.09888 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.