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]+ 326.14992 177.1
[M+Na]+ 348.13186 190.8
[M+NH4]+ 343.17646 183.6
[M+K]+ 364.10580 186.5
[M-H]- 324.13536 183.2
[M+Na-2H]- 346.11731 185.3
[M]+ 325.14209 180.7
[M]- 325.14319 180.7
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.