CID 15957098

Schembl6449831

Structural Information

Molecular Formula
C21H17N3O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC(=C3)O)OCC4=CC=CC=C4
InChI
InChI=1S/C21H17N3O3/c1-14-6-5-11-22-19(14)20-23-21(27-24-20)17-12-16(25)9-10-18(17)26-13-15-7-3-2-4-8-15/h2-12,25H,13H2,1H3
InChIKey
PYOKBLIAXBLBJG-UHFFFAOYSA-N
Compound name
3-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]-4-phenylmethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

359.12698 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13426 185.0
[M+Na]+ 382.11620 193.9
[M-H]- 358.11970 193.9
[M+NH4]+ 377.16080 192.6
[M+K]+ 398.09014 188.6
[M+H-H2O]+ 342.12424 173.3
[M+HCOO]- 404.12518 204.1
[M+CH3COO]- 418.14083 195.2
[M+Na-2H]- 380.10165 188.0
[M]+ 359.12643 187.7
[M]- 359.12753 187.7
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