CID 47002613

3-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid

Structural Information

Molecular Formula
C12H11BrN2O4
SMILES
COC1=CC(=C(C=C1)Br)C2=NN=C(O2)CCC(=O)O
InChI
InChI=1S/C12H11BrN2O4/c1-18-7-2-3-9(13)8(6-7)12-15-14-10(19-12)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKey
BGDPXWTXLOTKLW-UHFFFAOYSA-N
Compound name
3-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99751 167.5
[M+Na]+ 348.97945 170.3
[M+NH4]+ 344.02405 169.6
[M+K]+ 364.95339 173.2
[M-H]- 324.98295 167.7
[M+Na-2H]- 346.96490 169.0
[M]+ 325.98968 166.6
[M]- 325.99078 166.6
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.