CID 3061061

2-amino-5-(p-methoxy-alpha-phenylphenethyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C17H17N3O2
SMILES
COC1=CC=C(C=C1)CC(C2=CC=CC=C2)C3=NN=C(O3)N
InChI
InChI=1S/C17H17N3O2/c1-21-14-9-7-12(8-10-14)11-15(13-5-3-2-4-6-13)16-19-20-17(18)22-16/h2-10,15H,11H2,1H3,(H2,18,20)
InChIKey
BQYBRPYEWKLYHR-UHFFFAOYSA-N
Compound name
5-[2-(4-methoxyphenyl)-1-phenylethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 168.5
[M+Na]+ 318.121298 175.7
[M-H]- 294.124804 176.1
[M+NH4]+ 313.165903 180.5
[M+K]+ 334.095238 172.3
[M+H-H2O]+ 278.129340 158.5
[M+HCOO]- 340.130281 190.2
[M+CH3COO]- 354.145931 179.7
[M+Na-2H]- 316.106746 172.2
[M]+ 295.13153142 169.7
[M]- 295.13262858 169.7
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.