CID 54081863

Ethyl 5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C12H19N3O5
SMILES
CCOC(=O)C1=NN=C(O1)C(C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H19N3O5/c1-6-18-10(16)9-15-14-8(19-9)7(2)13-11(17)20-12(3,4)5/h7H,6H2,1-5H3,(H,13,17)
InChIKey
MNROPEXVHQTZTE-UHFFFAOYSA-N
Compound name
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3,4-oxadiazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.13248 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 164.3
[M+Na]+ 308.12170 170.9
[M+NH4]+ 303.16630 167.3
[M+K]+ 324.09564 172.3
[M-H]- 284.12520 162.2
[M+Na-2H]- 306.10715 164.9
[M]+ 285.13193 164.1
[M]- 285.13303 164.1
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

patents stripe