CID 135429401

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

Structural Information

Molecular Formula
C20H15N3O3
SMILES
COC1=CC(=C(C=C1)C2=NC(=NO2)C3=C(C=CC=N3)C4=CC=CC=C4)O
InChI
InChI=1S/C20H15N3O3/c1-25-14-9-10-16(17(24)12-14)20-22-19(23-26-20)18-15(8-5-11-21-18)13-6-3-2-4-7-13/h2-12,24H,1H3
InChIKey
AZCXGMMIIJGCJA-UHFFFAOYSA-N
Compound name
5-methoxy-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

1
Patents

345.11133 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11861 180.6
[M+Na]+ 368.10055 190.0
[M-H]- 344.10405 189.7
[M+NH4]+ 363.14515 188.8
[M+K]+ 384.07449 184.9
[M+H-H2O]+ 328.10859 169.1
[M+HCOO]- 390.10953 200.1
[M+CH3COO]- 404.12518 191.2
[M+Na-2H]- 366.08600 184.1
[M]+ 345.11078 183.0
[M]- 345.11188 183.0
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