CID 3068776

1,3,4-oxadiazol-2-amine, n-ethyl-5-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C13H17N3O4
SMILES
CCNC1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C13H17N3O4/c1-5-14-13-16-15-12(20-13)8-6-9(17-2)11(19-4)10(7-8)18-3/h6-7H,5H2,1-4H3,(H,14,16)
InChIKey
YBVKWIDCMGOLQJ-UHFFFAOYSA-N
Compound name
N-ethyl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12192 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.129196 161.9
[M+Na]+ 302.111138 171.3
[M-H]- 278.114644 167.7
[M+NH4]+ 297.155743 175.9
[M+K]+ 318.085078 170.6
[M+H-H2O]+ 262.119180 153.2
[M+HCOO]- 324.120121 185.7
[M+CH3COO]- 338.135771 202.2
[M+Na-2H]- 300.096586 166.3
[M]+ 279.12137142 169.6
[M]- 279.12246858 169.6
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.