CID 210992

22035-25-2

Structural Information

Molecular Formula
C12H13NO2S
SMILES
CC1=NC=C(S1)C2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C12H13NO2S/c1-8-13-7-12(16-8)10-5-4-9(14-2)6-11(10)15-3/h4-7H,1-3H3
InChIKey
NJRXFLVWZWSXBK-UHFFFAOYSA-N
Compound name
5-(2,4-dimethoxyphenyl)-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07398 149.8
[M+Na]+ 258.05592 160.5
[M-H]- 234.05942 156.6
[M+NH4]+ 253.10052 169.5
[M+K]+ 274.02986 157.4
[M+H-H2O]+ 218.06396 143.2
[M+HCOO]- 280.06490 169.9
[M+CH3COO]- 294.08055 189.7
[M+Na-2H]- 256.04137 151.2
[M]+ 235.06615 156.0
[M]- 235.06725 156.0
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.