CID 16217860

849100-03-4

Structural Information

Molecular Formula
C16H19BN2O2
SMILES
B1(OCCN(CCO1)C2=CC=CC=C2)C3=NC=CC(=C3)C
InChI
InChI=1S/C16H19BN2O2/c1-14-7-8-18-16(13-14)17-20-11-9-19(10-12-21-17)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKey
AJDLFXRVLIIZQL-UHFFFAOYSA-N
Compound name
2-(4-methylpyridin-2-yl)-6-phenyl-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16124 156.7
[M+Na]+ 305.14318 160.9
[M-H]- 281.14668 160.1
[M+NH4]+ 300.18778 161.2
[M+K]+ 321.11712 161.0
[M+H-H2O]+ 265.15122 151.1
[M+HCOO]- 327.15216 163.8
[M+CH3COO]- 341.16781 160.9
[M+Na-2H]- 303.12863 157.5
[M]+ 282.15341 155.5
[M]- 282.15451 155.5
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

patents stripe