CID 135429398

4-methyl-2-[3-(3-phenyl-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-phenol

Structural Information

Molecular Formula
C20H15N3O2
SMILES
CC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=C(C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C20H15N3O2/c1-13-9-10-17(24)16(12-13)20-22-19(23-25-20)18-15(8-5-11-21-18)14-6-3-2-4-7-14/h2-12,24H,1H3
InChIKey
KJVNUOOQDYQMTE-UHFFFAOYSA-N
Compound name
4-methyl-2-[3-(3-phenylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.11642 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.12370 177.8
[M+Na]+ 352.10564 187.5
[M-H]- 328.10914 187.0
[M+NH4]+ 347.15024 186.9
[M+K]+ 368.07958 181.7
[M+H-H2O]+ 312.11368 166.6
[M+HCOO]- 374.11462 197.2
[M+CH3COO]- 388.13027 188.7
[M+Na-2H]- 350.09109 181.3
[M]+ 329.11587 178.9
[M]- 329.11697 178.9
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

patents stripe