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

8
Patents

207.0354 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 141.2
[M+Na]+ 230.02462 151.8
[M-H]- 206.02812 146.6
[M+NH4]+ 225.06922 160.9
[M+K]+ 245.99856 147.6
[M+H-H2O]+ 190.03266 135.1
[M+HCOO]- 252.03360 160.6
[M+CH3COO]- 266.04925 179.3
[M+Na-2H]- 228.01007 143.8
[M]+ 207.03485 143.7
[M]- 207.03595 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