CID 135429433

Schembl6449994

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CCOC1=CC=CC(=C1O)C2=NC(=NO2)C3=C(C=CC=N3)C
InChI
InChI=1S/C16H15N3O3/c1-3-21-12-8-4-7-11(14(12)20)16-18-15(19-22-16)13-10(2)6-5-9-17-13/h4-9,20H,3H2,1-2H3
InChIKey
VBEIWAHIAAGKGQ-UHFFFAOYSA-N
Compound name
2-ethoxy-6-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.11133 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 168.2
[M+Na]+ 320.10055 178.2
[M-H]- 296.10405 174.4
[M+NH4]+ 315.14515 179.2
[M+K]+ 336.07449 174.5
[M+H-H2O]+ 280.10859 158.2
[M+HCOO]- 342.10953 188.0
[M+CH3COO]- 356.12518 179.8
[M+Na-2H]- 318.08600 171.8
[M]+ 297.11078 172.1
[M]- 297.11188 172.1
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