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]+ 269.09206 158.3
[M+Na]+ 291.07400 168.0
[M-H]- 267.07750 165.8
[M+NH4]+ 286.11860 171.7
[M+K]+ 307.04794 164.8
[M+H-H2O]+ 251.08204 149.3
[M+HCOO]- 313.08298 180.0
[M+CH3COO]- 327.09863 171.0
[M+Na-2H]- 289.05945 163.5
[M]+ 268.08423 161.1
[M]- 268.08533 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