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]+ 249.105606 155.6
[M+Na]+ 271.087548 164.7
[M-H]- 247.091054 161.6
[M+NH4]+ 266.132153 174.1
[M+K]+ 287.061488 160.8
[M+H-H2O]+ 231.095590 148.6
[M+HCOO]- 293.096531 174.4
[M+CH3COO]- 307.112181 195.8
[M+Na-2H]- 269.072996 154.9
[M]+ 248.09778142 158.4
[M]- 248.09887858 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.