CID 465148

2-(4-chlorophenyl)-3-methyl-5-(4-pyridyl)-2h-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H12ClN3O/c1-18-14(11-2-4-12(15)5-3-11)19-13(17-18)10-6-8-16-9-7-10/h2-9,14H,1H3
InChIKey
ACKRMZPKXQBVEE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-methyl-5-pyridin-4-yl-2H-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0669 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07418 160.8
[M+Na]+ 296.05612 171.2
[M-H]- 272.05962 167.3
[M+NH4]+ 291.10072 174.1
[M+K]+ 312.03006 166.3
[M+H-H2O]+ 256.06416 150.8
[M+HCOO]- 318.06510 176.2
[M+CH3COO]- 332.08075 172.8
[M+Na-2H]- 294.04157 164.8
[M]+ 273.06635 163.2
[M]- 273.06745 163.2
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.