CID 135483725

3-hydroxy-4-ethyl-2-(2-ethenyl-1-propenyl)-5-oxo-2-thiopheneacetamide

Structural Information

Molecular Formula
C13H17NO3S
SMILES
CCC1=C(C(SC1=O)(CC(=O)N)/C=C(\C)/C=C)O
InChI
InChI=1S/C13H17NO3S/c1-4-8(3)6-13(7-10(14)15)11(16)9(5-2)12(17)18-13/h4,6,16H,1,5,7H2,2-3H3,(H2,14,15)/b8-6+
InChIKey
GNZUNOUXZMJOPW-SOFGYWHQSA-N
Compound name
2-[4-ethyl-3-hydroxy-2-[(1E)-2-methylbuta-1,3-dienyl]-5-oxothiophen-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09293 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10021 160.3
[M+Na]+ 290.08215 167.4
[M-H]- 266.08565 162.1
[M+NH4]+ 285.12675 180.0
[M+K]+ 306.05609 163.0
[M+H-H2O]+ 250.09019 156.2
[M+HCOO]- 312.09113 175.4
[M+CH3COO]- 326.10678 196.1
[M+Na-2H]- 288.06760 156.8
[M]+ 267.09238 161.2
[M]- 267.09348 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.