CID 177644389

Chembl5593311

Structural Information

Molecular Formula
C16H18N2O5S
SMILES
CCOC1=CC=CC=C1C2=NOC(=C2)C(=O)NC/C=C/S(=O)(=O)C
InChI
InChI=1S/C16H18N2O5S/c1-3-22-14-8-5-4-7-12(14)13-11-15(23-18-13)16(19)17-9-6-10-24(2,20)21/h4-8,10-11H,3,9H2,1-2H3,(H,17,19)/b10-6+
InChIKey
MOYXEJATPCXCOW-UXBLZVDNSA-N
Compound name
3-(2-ethoxyphenyl)-N-[(E)-3-methylsulfonylprop-2-enyl]-1,2-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.09363 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.100906 181.2
[M+Na]+ 373.082848 188.7
[M-H]- 349.086354 187.7
[M+NH4]+ 368.127453 193.5
[M+K]+ 389.056788 185.8
[M+H-H2O]+ 333.090890 173.6
[M+HCOO]- 395.091831 198.7
[M+CH3COO]- 409.107481 208.8
[M+Na-2H]- 371.068296 183.0
[M]+ 350.09308142 188.0
[M]- 350.09417858 188.0
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.