CID 17227

2,5-bis(4-methylphenyl)-1,3,4-oxadiazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

325
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

literature stripe

Patent stripe

patents stripe