CID 216928

2-chloro-n-(3-(2-thienyl)-5-isoxazolyl)propanamide

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CC(C(=O)NC1=CC(=NO1)C2=CC=CS2)Cl
InChI
InChI=1S/C10H9ClN2O2S/c1-6(11)10(14)12-9-5-7(13-15-9)8-3-2-4-16-8/h2-6H,1H3,(H,12,14)
InChIKey
LLCAIALJJOZCLN-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00732 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 155.8
[M+Na]+ 278.996538 166.0
[M-H]- 255.000044 163.4
[M+NH4]+ 274.041143 174.9
[M+K]+ 294.970478 163.3
[M+H-H2O]+ 239.004580 150.1
[M+HCOO]- 301.005521 172.2
[M+CH3COO]- 315.021171 190.4
[M+Na-2H]- 276.981986 156.3
[M]+ 256.00677142 162.4
[M]- 256.00786858 162.4
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.