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]+ 206.06342 142.1
[M+Na]+ 228.04536 152.5
[M-H]- 204.04886 147.3
[M+NH4]+ 223.08996 162.1
[M+K]+ 244.01930 147.6
[M+H-H2O]+ 188.05340 136.0
[M+HCOO]- 250.05434 161.0
[M+CH3COO]- 264.06999 155.8
[M+Na-2H]- 226.03081 144.1
[M]+ 205.05559 143.6
[M]- 205.05669 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.