CID 3061063

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

Structural Information

Molecular Formula
C20H23N3O5
SMILES
COC1=C(C=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)C3=NN=C(O3)N)OC
InChI
InChI=1S/C20H23N3O5/c1-24-15-7-5-12(10-17(15)26-3)9-14(19-22-23-20(21)28-19)13-6-8-16(25-2)18(11-13)27-4/h5-8,10-11,14H,9H2,1-4H3,(H2,21,23)
InChIKey
AXLHZCCMBUFAER-UHFFFAOYSA-N
Compound name
5-[1,2-bis(3,4-dimethoxyphenyl)ethyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.16376 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17104 192.6
[M+Na]+ 408.15298 205.6
[M+NH4]+ 403.19758 197.6
[M+K]+ 424.12692 202.4
[M-H]- 384.15648 197.8
[M+Na-2H]- 406.13843 198.9
[M]+ 385.16321 195.8
[M]- 385.16431 195.8
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.