CID 135429362

2-[3-(3-methyl-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-benzene-1,4-diol

Structural Information

Molecular Formula
C14H11N3O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC(=C3)O)O
InChI
InChI=1S/C14H11N3O3/c1-8-3-2-6-15-12(8)13-16-14(20-17-13)10-7-9(18)4-5-11(10)19/h2-7,18-19H,1H3
InChIKey
JKCLILUQXMINKB-UHFFFAOYSA-N
Compound name
2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.08005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 159.5
[M+Na]+ 292.06927 170.1
[M-H]- 268.07277 164.9
[M+NH4]+ 287.11387 171.0
[M+K]+ 308.04321 166.0
[M+H-H2O]+ 252.07731 150.3
[M+HCOO]- 314.07825 178.6
[M+CH3COO]- 328.09390 171.4
[M+Na-2H]- 290.05472 163.8
[M]+ 269.07950 161.1
[M]- 269.08060 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

No patent data available for this compound.