CID 23279716

4-(4-ethoxyphenyl)-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CCOC1=CC=C(C=C1)C2=CSC(=O)N2
InChI
InChI=1S/C11H11NO2S/c1-2-14-9-5-3-8(4-6-9)10-7-15-11(13)12-10/h3-7H,2H2,1H3,(H,12,13)
InChIKey
TVGUPWQGBAACQI-UHFFFAOYSA-N
Compound name
4-(4-ethoxyphenyl)-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05106 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.058336 145.7
[M+Na]+ 244.040278 155.8
[M-H]- 220.043784 150.8
[M+NH4]+ 239.084883 164.8
[M+K]+ 260.014218 151.4
[M+H-H2O]+ 204.048320 139.3
[M+HCOO]- 266.049261 164.8
[M+CH3COO]- 280.064911 182.3
[M+Na-2H]- 242.025726 147.7
[M]+ 221.05051142 148.5
[M]- 221.05160858 148.5
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.