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 191.7
[M+Na]+ 408.15298 199.4
[M-H]- 384.15648 200.0
[M+NH4]+ 403.19758 200.5
[M+K]+ 424.12692 197.7
[M+H-H2O]+ 368.16102 181.1
[M+HCOO]- 430.16196 212.8
[M+CH3COO]- 444.17761 222.8
[M+Na-2H]- 406.13843 191.9
[M]+ 385.16321 199.3
[M]- 385.16431 199.3
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.