CID 135429328

Schembl6454702

Structural Information

Molecular Formula
C15H12N2O3
SMILES
COC1=CC=CC(=C1O)C2=NOC(=C2)C3=CC=CC=N3
InChI
InChI=1S/C15H12N2O3/c1-19-13-7-4-5-10(15(13)18)12-9-14(20-17-12)11-6-2-3-8-16-11/h2-9,18H,1H3
InChIKey
WIVPLVKYJUZSMI-UHFFFAOYSA-N
Compound name
2-methoxy-6-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.08478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.092056 158.3
[M+Na]+ 291.073998 168.0
[M-H]- 267.077504 165.8
[M+NH4]+ 286.118603 171.7
[M+K]+ 307.047938 164.8
[M+H-H2O]+ 251.082040 149.3
[M+HCOO]- 313.082981 180.0
[M+CH3COO]- 327.098631 171.0
[M+Na-2H]- 289.059446 163.5
[M]+ 268.08423142 161.1
[M]- 268.08532858 161.1
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