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]+ 280.12920 161.9
[M+Na]+ 302.11114 171.3
[M-H]- 278.11464 167.7
[M+NH4]+ 297.15574 175.9
[M+K]+ 318.08508 170.6
[M+H-H2O]+ 262.11918 153.2
[M+HCOO]- 324.12012 185.7
[M+CH3COO]- 338.13577 202.2
[M+Na-2H]- 300.09659 166.3
[M]+ 279.12137 169.6
[M]- 279.12247 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.