CID 70052

2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C15H12N2O2
SMILES
COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O2/c1-18-13-9-7-12(8-10-13)15-17-16-14(19-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
PGLXSBJEJSUXOB-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

13
Patents

252.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 154.7
[M+Na]+ 275.079088 164.1
[M-H]- 251.082594 163.1
[M+NH4]+ 270.123693 169.2
[M+K]+ 291.053028 161.2
[M+H-H2O]+ 235.087130 145.4
[M+HCOO]- 297.088071 177.7
[M+CH3COO]- 311.103721 167.8
[M+Na-2H]- 273.064536 161.0
[M]+ 252.08932142 157.5
[M]- 252.09041858 157.5
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