CID 12743038

4-(4-methoxyphenyl)-1,3-thiazol-2-ol

Structural Information

Molecular Formula
C10H9NO2S
SMILES
COC1=CC=C(C=C1)C2=CSC(=O)N2
InChI
InChI=1S/C10H9NO2S/c1-13-8-4-2-7(3-5-8)9-6-14-10(12)11-9/h2-6H,1H3,(H,11,12)
InChIKey
VRGOXHGWPUMECB-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

207.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.042676 141.2
[M+Na]+ 230.024618 151.8
[M-H]- 206.028124 146.6
[M+NH4]+ 225.069223 160.9
[M+K]+ 245.998558 147.6
[M+H-H2O]+ 190.032660 135.1
[M+HCOO]- 252.033601 160.6
[M+CH3COO]- 266.049251 179.3
[M+Na-2H]- 228.010066 143.8
[M]+ 207.03485142 143.7
[M]- 207.03594858 143.7
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

patents stripe