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 165.5
[M+Na]+ 308.12170 171.6
[M-H]- 284.12520 167.4
[M+NH4]+ 303.16630 178.8
[M+K]+ 324.09564 173.3
[M+H-H2O]+ 268.12974 158.2
[M+HCOO]- 330.13068 184.3
[M+CH3COO]- 344.14633 200.8
[M+Na-2H]- 306.10715 168.1
[M]+ 285.13193 171.5
[M]- 285.13303 171.5
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