CID 218036

Brn 1019283

Structural Information

Molecular Formula
C13H15Cl2N3O2
SMILES
CCCCNC1=NN=C(O1)COC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3O2/c1-2-3-6-16-13-18-17-12(20-13)8-19-11-7-9(14)4-5-10(11)15/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)
InChIKey
OITWKWMVGFNCBZ-UHFFFAOYSA-N
Compound name
N-butyl-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

315.05414 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06142 170.2
[M+Na]+ 338.04336 179.8
[M-H]- 314.04686 174.2
[M+NH4]+ 333.08796 183.7
[M+K]+ 354.01730 174.9
[M+H-H2O]+ 298.05140 161.9
[M+HCOO]- 360.05234 183.3
[M+CH3COO]- 374.06799 204.6
[M+Na-2H]- 336.02881 173.5
[M]+ 315.05359 177.3
[M]- 315.05469 177.3
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.