CID 5273060

Chembl311307

Structural Information

Molecular Formula
C16H15Cl2N3O3
SMILES
CC1=NOC(=C1)CCCOC2=C(C=C(C=C2Cl)C3=NOC(=N3)C)Cl
InChI
InChI=1S/C16H15Cl2N3O3/c1-9-6-12(24-20-9)4-3-5-22-15-13(17)7-11(8-14(15)18)16-19-10(2)23-21-16/h6-8H,3-5H2,1-2H3
InChIKey
NUSRRZODPFNUFC-UHFFFAOYSA-N
Compound name
3-[3,5-dichloro-4-[3-(3-methyl-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

367.04904 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05632 183.0
[M+Na]+ 390.03826 195.8
[M-H]- 366.04176 190.7
[M+NH4]+ 385.08286 194.0
[M+K]+ 406.01220 191.7
[M+H-H2O]+ 350.04630 174.1
[M+HCOO]- 412.04724 195.2
[M+CH3COO]- 426.06289 194.8
[M+Na-2H]- 388.02371 183.0
[M]+ 367.04849 194.6
[M]- 367.04959 194.6
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.