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

423
Patents

369.03644 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.04372 176.9
[M+Na]+ 392.02566 184.1
[M+NH4]+ 387.07026 182.0
[M+K]+ 407.99960 180.7
[M-H]- 368.02916 181.6
[M+Na-2H]- 390.01111 185.1
[M]+ 369.03589 178.4
[M]- 369.03699 178.4
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