CID 216927

Propanamide, 3-chloro-n-(3-(2-thienyl)-5-isoxazolyl)-

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
C1=CSC(=C1)C2=NOC(=C2)NC(=O)CCCl
InChI
InChI=1S/C10H9ClN2O2S/c11-4-3-9(14)12-10-6-7(13-15-10)8-2-1-5-16-8/h1-2,5-6H,3-4H2,(H,12,14)
InChIKey
LYJQRTMDFIFNGZ-UHFFFAOYSA-N
Compound name
3-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01460 155.2
[M+Na]+ 278.99654 165.8
[M-H]- 255.00004 162.7
[M+NH4]+ 274.04114 174.4
[M+K]+ 294.97048 162.5
[M+H-H2O]+ 239.00458 149.4
[M+HCOO]- 301.00552 172.7
[M+CH3COO]- 315.02117 189.5
[M+Na-2H]- 276.98199 156.7
[M]+ 256.00677 162.3
[M]- 256.00787 162.3
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.