CID 135429365

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

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC(=C3)OC)O
InChI
InChI=1S/C15H13N3O3/c1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-8-10(20-2)5-6-12(11)19/h3-8,19H,1-2H3
InChIKey
SCVXCCJASUUNBJ-UHFFFAOYSA-N
Compound name
4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.0957 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 163.6
[M+Na]+ 306.084918 174.2
[M-H]- 282.088424 170.1
[M+NH4]+ 301.129523 175.2
[M+K]+ 322.058858 170.7
[M+H-H2O]+ 266.092960 153.9
[M+HCOO]- 328.093901 183.9
[M+CH3COO]- 342.109551 175.7
[M+Na-2H]- 304.070366 167.8
[M]+ 283.09515142 167.2
[M]- 283.09624858 167.2
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