CID 218044

Brn 1040515

Structural Information

Molecular Formula
C16H13Cl2N3O3
SMILES
COC1=CC=C(C=C1)NC2=NN=C(O2)COC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O3/c1-22-12-5-3-11(4-6-12)19-16-21-20-15(24-16)9-23-14-8-10(17)2-7-13(14)18/h2-8H,9H2,1H3,(H,19,21)
InChIKey
YNZIEUVJYBEDAK-UHFFFAOYSA-N
Compound name
5-[(2,5-dichlorophenoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0334 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.040676 180.7
[M+Na]+ 388.022618 191.0
[M-H]- 364.026124 188.3
[M+NH4]+ 383.067223 191.9
[M+K]+ 403.996558 186.0
[M+H-H2O]+ 348.030660 171.2
[M+HCOO]- 410.031601 194.4
[M+CH3COO]- 424.047251 191.7
[M+Na-2H]- 386.008066 184.0
[M]+ 365.03285142 188.5
[M]- 365.03394858 188.5
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

No patent data available for this compound.