CID 3061060

5-(1-(4-methoxyphenyl)-2-phenylethyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C17H17N3O2
SMILES
COC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3=NN=C(O3)N
InChI
InChI=1S/C17H17N3O2/c1-21-14-9-7-13(8-10-14)15(16-19-20-17(18)22-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H2,18,20)
InChIKey
MTOCVNGPOYYRQF-UHFFFAOYSA-N
Compound name
5-[1-(4-methoxyphenyl)-2-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]+ 296.13936 168.5
[M+Na]+ 318.12130 175.7
[M-H]- 294.12480 176.1
[M+NH4]+ 313.16590 180.5
[M+K]+ 334.09524 172.3
[M+H-H2O]+ 278.12934 158.5
[M+HCOO]- 340.13028 190.2
[M+CH3COO]- 354.14593 179.7
[M+Na-2H]- 316.10675 172.2
[M]+ 295.13153 169.7
[M]- 295.13263 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.