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]+ 222.05834 145.7
[M+Na]+ 244.04028 155.8
[M-H]- 220.04378 150.8
[M+NH4]+ 239.08488 164.8
[M+K]+ 260.01422 151.4
[M+H-H2O]+ 204.04832 139.3
[M+HCOO]- 266.04926 164.8
[M+CH3COO]- 280.06491 182.3
[M+Na-2H]- 242.02573 147.7
[M]+ 221.05051 148.5
[M]- 221.05161 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.