CID 493532

[(3-bromophenyl)methoxy](5-ethyl-2-methoxy-6-methyl(3-pyridyl))methane

Structural Information

Molecular Formula
C17H20BrNO2
SMILES
CCC1=CC(=C(N=C1C)OC)COCC2=CC(=CC=C2)Br
InChI
InChI=1S/C17H20BrNO2/c1-4-14-9-15(17(20-3)19-12(14)2)11-21-10-13-6-5-7-16(18)8-13/h5-9H,4,10-11H2,1-3H3
InChIKey
PUNPVVKJMURKOY-UHFFFAOYSA-N
Compound name
3-[(3-bromophenyl)methoxymethyl]-5-ethyl-2-methoxy-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.06775 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07503 173.2
[M+Na]+ 372.05697 184.6
[M-H]- 348.06047 181.2
[M+NH4]+ 367.10157 189.5
[M+K]+ 388.03091 172.8
[M+H-H2O]+ 332.06501 171.0
[M+HCOO]- 394.06595 193.0
[M+CH3COO]- 408.08160 210.7
[M+Na-2H]- 370.04242 177.7
[M]+ 349.06720 196.5
[M]- 349.06830 196.5
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

No patent data available for this compound.