CID 16217865

872054-59-6

Structural Information

Molecular Formula
C16H19BN2O3
SMILES
B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC(=CC=C3)OC
InChI
InChI=1S/C16H19BN2O3/c1-20-16-9-5-8-15(18-16)17-21-12-10-19(11-13-22-17)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKey
DBLBCHOTUMUCCT-UHFFFAOYSA-N
Compound name
2-(6-methoxy-2-pyridinyl)-6-phenyl-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

298.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15614 158.1
[M+Na]+ 321.13808 162.3
[M-H]- 297.14158 161.6
[M+NH4]+ 316.18268 162.4
[M+K]+ 337.11202 162.7
[M+H-H2O]+ 281.14612 152.5
[M+HCOO]- 343.14706 165.4
[M+CH3COO]- 357.16271 162.3
[M+Na-2H]- 319.12353 158.9
[M]+ 298.14831 157.6
[M]- 298.14941 157.6
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