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 178.2
[M+Na]+ 392.02566 187.9
[M-H]- 368.02916 188.4
[M+NH4]+ 387.07026 192.4
[M+K]+ 407.99960 175.9
[M+H-H2O]+ 352.03370 175.1
[M+HCOO]- 414.03464 198.6
[M+CH3COO]- 428.05029 190.7
[M+Na-2H]- 390.01111 185.1
[M]+ 369.03589 198.6
[M]- 369.03699 198.6
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