CID 135429437

Schembl6451387

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CCCOC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=C(C=CC=N3)C
InChI
InChI=1S/C17H17N3O3/c1-3-9-22-12-6-7-14(21)13(10-12)17-19-16(20-23-17)15-11(2)5-4-8-18-15/h4-8,10,21H,3,9H2,1-2H3
InChIKey
BDKIKFSHOGLTSK-UHFFFAOYSA-N
Compound name
2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]-4-propoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.12698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 172.7
[M+Na]+ 334.11620 182.3
[M-H]- 310.11970 178.7
[M+NH4]+ 329.16080 183.1
[M+K]+ 350.09014 178.3
[M+H-H2O]+ 294.12424 162.5
[M+HCOO]- 356.12518 192.2
[M+CH3COO]- 370.14083 183.9
[M+Na-2H]- 332.10165 175.8
[M]+ 311.12643 176.9
[M]- 311.12753 176.9
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