CID 209196

2-(p-anisyl)-3-ethyl-4-methylthiazolium iodide

Structural Information

Molecular Formula
C13H16NOS
SMILES
CC[N+]1=C(SC=C1C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H16NOS/c1-4-14-10(2)9-16-13(14)11-5-7-12(15-3)8-6-11/h5-9H,4H2,1-3H3/q+1
InChIKey
SXGHHARJQRZWDV-UHFFFAOYSA-N
Compound name
3-ethyl-2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09526 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10254 151.6
[M+Na]+ 257.08448 161.8
[M-H]- 233.08798 158.5
[M+NH4]+ 252.12908 171.1
[M+K]+ 273.05842 152.6
[M+H-H2O]+ 217.09252 147.7
[M+HCOO]- 279.09346 170.8
[M+CH3COO]- 293.10911 184.3
[M+Na-2H]- 255.06993 154.7
[M]+ 234.09471 155.2
[M]- 234.09581 155.2
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.