CID 15957025

2-[5-(5-bromo-2,3-dimethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-3-methyl-pyridine

Structural Information

Molecular Formula
C16H14BrN3O3
SMILES
CC1=C(N=CC=C1)C2=NOC(=N2)C3=C(C(=CC(=C3)Br)OC)OC
InChI
InChI=1S/C16H14BrN3O3/c1-9-5-4-6-18-13(9)15-19-16(23-20-15)11-7-10(17)8-12(21-2)14(11)22-3/h4-8H,1-3H3
InChIKey
CMQYNBCGCUAAIV-UHFFFAOYSA-N
Compound name
5-(5-bromo-2,3-dimethoxyphenyl)-3-(3-methylpyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.02185 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02913 176.3
[M+Na]+ 398.01107 189.9
[M-H]- 374.01457 186.5
[M+NH4]+ 393.05567 189.3
[M+K]+ 413.98501 179.7
[M+H-H2O]+ 358.01911 173.4
[M+HCOO]- 420.02005 195.4
[M+CH3COO]- 434.03570 190.1
[M+Na-2H]- 395.99652 180.7
[M]+ 375.02130 200.8
[M]- 375.02240 200.8
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.