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 156.4
[M+Na]+ 273.09983 166.5
[M-H]- 249.10333 165.0
[M+NH4]+ 268.14443 171.5
[M+K]+ 289.07377 162.7
[M+H-H2O]+ 233.10787 147.3
[M+HCOO]- 295.10881 179.0
[M+CH3COO]- 309.12446 169.7
[M+Na-2H]- 271.08528 161.4
[M]+ 250.11006 158.6
[M]- 250.11116 158.6
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.