CID 16119965

2-pyridineboronic acid n-phenyldiethanolamine ester

Structural Information

Molecular Formula
C15H17BN2O2
SMILES
B1(OCCN(CCO1)C2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C15H17BN2O2/c1-2-6-14(7-3-1)18-10-12-19-16(20-13-11-18)15-8-4-5-9-17-15/h1-9H,10-13H2
InChIKey
QDIQDVHNUYDVDD-UHFFFAOYSA-N
Compound name
6-phenyl-2-pyridin-2-yl-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

268.1383 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14558 152.7
[M+Na]+ 291.12752 156.6
[M-H]- 267.13102 156.0
[M+NH4]+ 286.17212 157.4
[M+K]+ 307.10146 156.9
[M+H-H2O]+ 251.13556 147.2
[M+HCOO]- 313.13650 160.0
[M+CH3COO]- 327.15215 157.0
[M+Na-2H]- 289.11297 154.2
[M]+ 268.13775 151.2
[M]- 268.13885 151.2
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