CID 4063596

162892-52-6

Structural Information

Molecular Formula
C16H14N2O
SMILES
CC1=CC(=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3)C
InChI
InChI=1S/C16H14N2O/c1-11-8-9-14(12(2)10-11)16-18-17-15(19-16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
DTJWNIQQMDJMQA-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11061 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 156.8
[M+Na]+ 273.09983 174.0
[M+NH4]+ 268.14443 165.7
[M+K]+ 289.07377 167.6
[M-H]- 249.10333 164.1
[M+Na-2H]- 271.08528 167.7
[M]+ 250.11006 161.6
[M]- 250.11116 161.6
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.