CID 53429625

Ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)OCC
InChI
InChI=1S/C13H14N2O3/c1-3-11-14-12(15-18-11)9-6-5-7-10(8-9)13(16)17-4-2/h5-8H,3-4H2,1-2H3
InChIKey
YKLAIEJAARWSHQ-UHFFFAOYSA-N
Compound name
ethyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

246.10045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.8
[M+Na]+ 269.08967 167.9
[M+NH4]+ 264.13427 161.4
[M+K]+ 285.06361 164.3
[M-H]- 245.09317 157.7
[M+Na-2H]- 267.07512 161.1
[M]+ 246.09990 157.3
[M]- 246.10100 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.