CID 216882

2-(diethylamino)-n-(3-(2-thienyl)-5-isoxazolyl)acetamide monohydrochloride

Structural Information

Molecular Formula
C13H17N3O2S
SMILES
CCN(CC)CC(=O)NC1=CC(=NO1)C2=CC=CS2
InChI
InChI=1S/C13H17N3O2S/c1-3-16(4-2)9-12(17)14-13-8-10(15-18-13)11-6-5-7-19-11/h5-8H,3-4,9H2,1-2H3,(H,14,17)
InChIKey
UGYBJYLMIKKLHC-UHFFFAOYSA-N
Compound name
2-(diethylamino)-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

279.10416 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11144 165.3
[M+Na]+ 302.09338 173.0
[M-H]- 278.09688 173.8
[M+NH4]+ 297.13798 183.0
[M+K]+ 318.06732 172.1
[M+H-H2O]+ 262.10142 157.7
[M+HCOO]- 324.10236 187.9
[M+CH3COO]- 338.11801 202.9
[M+Na-2H]- 300.07883 166.0
[M]+ 279.10361 172.1
[M]- 279.10471 172.1
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.