CID 135429402

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

Structural Information

Molecular Formula
C19H13N3O3
SMILES
C1=CC=C(C=C1)C2=C(N=CC=C2)C3=NOC(=N3)C4=C(C=CC(=C4)O)O
InChI
InChI=1S/C19H13N3O3/c23-13-8-9-16(24)15(11-13)19-21-18(22-25-19)17-14(7-4-10-20-17)12-5-2-1-3-6-12/h1-11,23-24H
InChIKey
KKPRPNQPIIYVPO-UHFFFAOYSA-N
Compound name
2-[3-(3-phenylpyridin-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

331.0957 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10298 176.0
[M+Na]+ 354.08492 185.5
[M-H]- 330.08842 184.2
[M+NH4]+ 349.12952 184.2
[M+K]+ 370.05886 179.8
[M+H-H2O]+ 314.09296 165.2
[M+HCOO]- 376.09390 194.5
[M+CH3COO]- 390.10955 186.5
[M+Na-2H]- 352.07037 179.9
[M]+ 331.09515 176.5
[M]- 331.09625 176.5
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