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

literature stripe

Patent stripe

patents stripe