CID 135429329

4-methoxy-2-(5-pyridin-2-yl-isoxazol-3-yl)-benzene-1,3-diol

Structural Information

Molecular Formula
C15H12N2O4
SMILES
COC1=C(C(=C(C=C1)O)C2=NOC(=C2)C3=CC=CC=N3)O
InChI
InChI=1S/C15H12N2O4/c1-20-12-6-5-11(18)14(15(12)19)10-8-13(21-17-10)9-4-2-3-7-16-9/h2-8,18-19H,1H3
InChIKey
GMCQJOXMLIMJCK-UHFFFAOYSA-N
Compound name
4-methoxy-2-(5-pyridin-2-yl-1,2-oxazol-3-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08698 161.8
[M+Na]+ 307.06892 171.7
[M-H]- 283.07242 168.4
[M+NH4]+ 302.11352 174.0
[M+K]+ 323.04286 168.4
[M+H-H2O]+ 267.07696 153.1
[M+HCOO]- 329.07790 182.2
[M+CH3COO]- 343.09355 174.0
[M+Na-2H]- 305.05437 165.9
[M]+ 284.07915 164.7
[M]- 284.08025 164.7
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

No patent data available for this compound.