CID 717018

443922-53-0

Structural Information

Molecular Formula
C12H14N2OS
SMILES
CCOC1=CC=C(C=C1)C2=C(SC(=N2)N)C
InChI
InChI=1S/C12H14N2OS/c1-3-15-10-6-4-9(5-7-10)11-8(2)16-12(13)14-11/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKey
WCMMJVXFGSFQLR-UHFFFAOYSA-N
Compound name
4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08269 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 150.7
[M+Na]+ 257.07191 160.6
[M-H]- 233.07541 156.8
[M+NH4]+ 252.11651 169.8
[M+K]+ 273.04585 156.4
[M+H-H2O]+ 217.07995 143.8
[M+HCOO]- 279.08089 170.8
[M+CH3COO]- 293.09654 191.9
[M+Na-2H]- 255.05736 151.6
[M]+ 234.08214 153.7
[M]- 234.08324 153.7
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.