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]+ 236.073976 149.8
[M+Na]+ 258.055918 160.5
[M-H]- 234.059424 156.6
[M+NH4]+ 253.100523 169.5
[M+K]+ 274.029858 157.4
[M+H-H2O]+ 218.063960 143.2
[M+HCOO]- 280.064901 169.9
[M+CH3COO]- 294.080551 189.7
[M+Na-2H]- 256.041366 151.2
[M]+ 235.06615142 156.0
[M]- 235.06724858 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.