CID 88224

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

Structural Information

Molecular Formula
C16H14N2O3
SMILES
COC1=CC=CC(=C1)C2=NN=C(O2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C16H14N2O3/c1-19-13-7-3-5-11(9-13)15-17-18-16(21-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
InChIKey
VTFRIPCUJGVYKU-UHFFFAOYSA-N
Compound name
2,5-bis(3-methoxyphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

282.10043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.107706 162.7
[M+Na]+ 305.089648 172.3
[M-H]- 281.093154 171.3
[M+NH4]+ 300.134253 176.1
[M+K]+ 321.063588 169.8
[M+H-H2O]+ 265.097690 153.1
[M+HCOO]- 327.098631 185.5
[M+CH3COO]- 341.114281 175.5
[M+Na-2H]- 303.075096 167.7
[M]+ 282.09988142 167.5
[M]- 282.10097858 167.5
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