CID 135429422

2-[3-(3-bromo-pyridin-2-yl)-[1,2,4]oxadiazol-5-yl]-6-methoxy-phenol

Structural Information

Molecular Formula
C14H10BrN3O3
SMILES
COC1=CC=CC(=C1O)C2=NC(=NO2)C3=C(C=CC=N3)Br
InChI
InChI=1S/C14H10BrN3O3/c1-20-10-6-2-4-8(12(10)19)14-17-13(18-21-14)11-9(15)5-3-7-16-11/h2-7,19H,1H3
InChIKey
KVDKOSVHCOMHSM-UHFFFAOYSA-N
Compound name
2-[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.99054 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99782 167.6
[M+Na]+ 369.97976 180.7
[M-H]- 345.98326 176.4
[M+NH4]+ 365.02436 180.7
[M+K]+ 385.95370 170.1
[M+H-H2O]+ 329.98780 165.1
[M+HCOO]- 391.98874 186.0
[M+CH3COO]- 406.00439 181.2
[M+Na-2H]- 367.96521 173.3
[M]+ 346.98999 189.4
[M]- 346.99109 189.4
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