CID 3074715

Acetamide, 2-cyano-n-(5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl)-

Structural Information

Molecular Formula
C13H12N4O3
SMILES
CCOC1=CC=CC=C1C2=NN=C(O2)NC(=O)CC#N
InChI
InChI=1S/C13H12N4O3/c1-2-19-10-6-4-3-5-9(10)12-16-17-13(20-12)15-11(18)7-8-14/h3-6H,2,7H2,1H3,(H,15,17,18)
InChIKey
JDMDZOGZBIALGM-UHFFFAOYSA-N
Compound name
2-cyano-N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09094 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09822 158.8
[M+Na]+ 295.08016 167.9
[M-H]- 271.08366 161.7
[M+NH4]+ 290.12476 170.3
[M+K]+ 311.05410 165.5
[M+H-H2O]+ 255.08820 142.5
[M+HCOO]- 317.08914 177.4
[M+CH3COO]- 331.10479 208.8
[M+Na-2H]- 293.06561 162.7
[M]+ 272.09039 156.6
[M]- 272.09149 156.6
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.