CID 216892

N-(3-(2-thienyl)-5-isoxazolyl)benzamide

Structural Information

Molecular Formula
C14H10N2O2S
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC(=NO2)C3=CC=CS3
InChI
InChI=1S/C14H10N2O2S/c17-14(10-5-2-1-3-6-10)15-13-9-11(16-18-13)12-7-4-8-19-12/h1-9H,(H,15,17)
InChIKey
SDGIIDCAEJEHGF-UHFFFAOYSA-N
Compound name
N-(3-thiophen-2-yl-1,2-oxazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0463 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05358 158.7
[M+Na]+ 293.03552 168.7
[M-H]- 269.03902 169.6
[M+NH4]+ 288.08012 176.3
[M+K]+ 309.00946 165.7
[M+H-H2O]+ 253.04356 151.9
[M+HCOO]- 315.04450 181.4
[M+CH3COO]- 329.06015 172.5
[M+Na-2H]- 291.02097 161.2
[M]+ 270.04575 163.2
[M]- 270.04685 163.2
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.