CID 58412297

1201644-42-9

Structural Information

Molecular Formula
C14H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)N(C)C
InChI
InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)11-7-10(8-16-9-11)12(18)17(5)6/h7-9H,1-6H3
InChIKey
ZUFJKKGQYIZCPE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

276.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17180 159.4
[M+Na]+ 299.15374 167.8
[M-H]- 275.15724 168.2
[M+NH4]+ 294.19834 178.2
[M+K]+ 315.12768 169.6
[M+H-H2O]+ 259.16178 153.8
[M+HCOO]- 321.16272 179.8
[M+CH3COO]- 335.17837 204.5
[M+Na-2H]- 297.13919 163.7
[M]+ 276.16397 164.0
[M]- 276.16507 164.0
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