CID 57537511

1092580-90-9

Structural Information

Molecular Formula
C14H22BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)C(=O)N(C)C
InChI
InChI=1S/C14H22BN3O3/c1-13(2)14(3,4)21-15(20-13)9-7-10(11(16)17-8-9)12(19)18(5)6/h7-8H,1-6H3,(H2,16,17)
InChIKey
MOJKCQQYABQCHY-UHFFFAOYSA-N
Compound name
2-amino-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

35
Patents

291.1754 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18268 165.0
[M+Na]+ 314.16462 173.3
[M-H]- 290.16812 173.5
[M+NH4]+ 309.20922 182.7
[M+K]+ 330.13856 174.7
[M+H-H2O]+ 274.17266 159.2
[M+HCOO]- 336.17360 185.6
[M+CH3COO]- 350.18925 210.4
[M+Na-2H]- 312.15007 168.0
[M]+ 291.17485 168.3
[M]- 291.17595 168.3
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