CID 5270587

Chembl3769733

Structural Information

Molecular Formula
C15H11Cl2N3O2
SMILES
CC(=O)N1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3O2/c1-9(21)20-15(11-2-3-12(16)13(17)8-11)22-14(19-20)10-4-6-18-7-5-10/h2-8,15H,1H3
InChIKey
JVAXOFPDSGMWJX-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dichlorophenyl)-5-pyridin-4-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

335.02283 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.03011 173.6
[M+Na]+ 358.01205 184.4
[M-H]- 334.01555 179.7
[M+NH4]+ 353.05665 184.9
[M+K]+ 373.98599 178.9
[M+H-H2O]+ 318.02009 163.8
[M+HCOO]- 380.02103 182.7
[M+CH3COO]- 394.03668 184.4
[M+Na-2H]- 355.99750 174.5
[M]+ 335.02228 177.9
[M]- 335.02338 177.9
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.