CID 216886

1-piperidineacetamide, n-(3-(2-thienyl)-5-isoxazolyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
C1CCN(CC1)CC(=O)NC2=CC(=NO2)C3=CC=CS3
InChI
InChI=1S/C14H17N3O2S/c18-13(10-17-6-2-1-3-7-17)15-14-9-11(16-19-14)12-5-4-8-20-12/h4-5,8-9H,1-3,6-7,10H2,(H,15,18)
InChIKey
XXAQUWYCGBJZTA-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11144 164.5
[M+Na]+ 314.09338 174.9
[M+NH4]+ 309.13798 172.1
[M+K]+ 330.06732 171.0
[M-H]- 290.09688 169.9
[M+Na-2H]- 312.07883 170.9
[M]+ 291.10361 167.7
[M]- 291.10471 167.7
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.