CID 3061062

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

Structural Information

Molecular Formula
C18H19N3O3
SMILES
COC1=C(C=C(C=C1)CC(C2=CC=CC=C2)C3=NN=C(O3)N)OC
InChI
InChI=1S/C18H19N3O3/c1-22-15-9-8-12(11-16(15)23-2)10-14(13-6-4-3-5-7-13)17-20-21-18(19)24-17/h3-9,11,14H,10H2,1-2H3,(H2,19,21)
InChIKey
HFGMBSUOSPLDFM-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.149916 176.5
[M+Na]+ 348.131858 183.9
[M-H]- 324.135364 184.3
[M+NH4]+ 343.176463 187.4
[M+K]+ 364.105798 181.0
[M+H-H2O]+ 308.139900 166.2
[M+HCOO]- 370.140841 198.0
[M+CH3COO]- 384.156491 210.0
[M+Na-2H]- 346.117306 178.9
[M]+ 325.14209142 179.8
[M]- 325.14318858 179.8
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.