CID 218042

Brn 1036025

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
CC1=CC=C(C=C1)NC2=NN=C(O2)COC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c1-10-2-5-12(6-3-10)19-16-21-20-15(23-16)9-22-14-8-11(17)4-7-13(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKey
NMIPHGGCBSOPIZ-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenoxy)methyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03848 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.045756 178.7
[M+Na]+ 372.027698 189.3
[M-H]- 348.031204 186.2
[M+NH4]+ 367.072303 190.7
[M+K]+ 388.001638 183.5
[M+H-H2O]+ 332.035740 169.4
[M+HCOO]- 394.036681 192.2
[M+CH3COO]- 408.052331 189.9
[M+Na-2H]- 370.013146 181.8
[M]+ 349.03793142 185.2
[M]- 349.03902858 185.2
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.