CID 218038

Brn 1029875

Structural Information

Molecular Formula
C15H17Cl2N3O2
SMILES
C1CCC(CC1)NC2=NN=C(O2)COC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O2/c16-10-6-7-12(17)13(8-10)21-9-14-19-20-15(22-14)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,20)
InChIKey
ACDVXMAIYBRKTE-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-[(2,5-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0698 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.077076 177.5
[M+Na]+ 364.059018 184.5
[M-H]- 340.062524 183.6
[M+NH4]+ 359.103623 189.2
[M+K]+ 380.032958 179.4
[M+H-H2O]+ 324.067060 167.9
[M+HCOO]- 386.068001 187.0
[M+CH3COO]- 400.083651 187.1
[M+Na-2H]- 362.044466 178.9
[M]+ 341.06925142 178.9
[M]- 341.07034858 178.9
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.