CID 135429369

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

Structural Information

Molecular Formula
C14H10BrN3O2
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C14H10BrN3O2/c1-8-3-2-6-16-12(8)13-17-14(20-18-13)10-7-9(15)4-5-11(10)19/h2-7,19H,1H3
InChIKey
DCRSVNIAGXIWQT-UHFFFAOYSA-N
Compound name
4-bromo-2-[3-(3-methylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.99564 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00292 165.3
[M+Na]+ 353.98486 178.8
[M-H]- 329.98836 174.2
[M+NH4]+ 349.02946 179.2
[M+K]+ 369.95880 167.6
[M+H-H2O]+ 313.99290 163.2
[M+HCOO]- 375.99384 183.6
[M+CH3COO]- 390.00949 179.2
[M+Na-2H]- 351.97031 171.0
[M]+ 330.99509 185.9
[M]- 330.99619 185.9
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