CID 5273061

Chembl419288

Structural Information

Molecular Formula
C17H17Cl2N3O3
SMILES
CCC1=NOC(=C1)CCCOC2=C(C=C(C=C2Cl)C3=NOC(=N3)C)Cl
InChI
InChI=1S/C17H17Cl2N3O3/c1-3-12-9-13(25-21-12)5-4-6-23-16-14(18)7-11(8-15(16)19)17-20-10(2)24-22-17/h7-9H,3-6H2,1-2H3
InChIKey
HROAXWDTJZTASO-UHFFFAOYSA-N
Compound name
3-[3,5-dichloro-4-[3-(3-ethyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.0647 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.07198 187.6
[M+Na]+ 404.05392 200.0
[M-H]- 380.05742 195.1
[M+NH4]+ 399.09852 198.1
[M+K]+ 420.02786 195.6
[M+H-H2O]+ 364.06196 178.4
[M+HCOO]- 426.06290 199.4
[M+CH3COO]- 440.07855 198.9
[M+Na-2H]- 402.03937 187.0
[M]+ 381.06415 199.5
[M]- 381.06525 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.