CID 43286806

5-ethyl-4-phenyl-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C11H11NOS
SMILES
CCC1=C(NC(=O)S1)C2=CC=CC=C2
InChI
InChI=1S/C11H11NOS/c1-2-9-10(12-11(13)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)
InChIKey
CIPBLWZURGPAOC-UHFFFAOYSA-N
Compound name
5-ethyl-4-phenyl-3H-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05614 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.063416 142.1
[M+Na]+ 228.045358 152.5
[M-H]- 204.048864 147.3
[M+NH4]+ 223.089963 162.1
[M+K]+ 244.019298 147.6
[M+H-H2O]+ 188.053400 136.0
[M+HCOO]- 250.054341 161.0
[M+CH3COO]- 264.069991 155.8
[M+Na-2H]- 226.030806 144.1
[M]+ 205.05559142 143.6
[M]- 205.05668858 143.6
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.