CID 21818496

2,6-bis(benzyloxy)-3-bromopyridine

Structural Information

Molecular Formula

C₁₉H₁₆BrNO₂

SMILES

C1=CC=C(C=C1)COC2=NC(=C(C=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C19H16BrNO2/c20-17-11-12-18(22-13-15-7-3-1-4-8-15)21-19(17)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2

InChIKey

BHPOOUUMRGOCIR-UHFFFAOYSA-N

Compound name

3-bromo-2,6-bis(phenylmethoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 431
Patents: 369.03644 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	370.043716	178.2
[M+Na]+	392.025658	187.9
[M-H]-	368.029164	188.4
[M+NH4]+	387.070263	192.4
[M+K]+	407.999598	175.9
[M+H-H2O]+	352.033700	175.1
[M+HCOO]-	414.034641	198.6
[M+CH3COO]-	428.050291	190.7
[M+Na-2H]-	390.011106	185.1
[M]+	369.03589142	198.6
[M]-	369.03698858	198.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe