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]+ 342.07708 177.5
[M+Na]+ 364.05902 184.5
[M-H]- 340.06252 183.6
[M+NH4]+ 359.10362 189.2
[M+K]+ 380.03296 179.4
[M+H-H2O]+ 324.06706 167.9
[M+HCOO]- 386.06800 187.0
[M+CH3COO]- 400.08365 187.1
[M+Na-2H]- 362.04447 178.9
[M]+ 341.06925 178.9
[M]- 341.07035 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.