CID 59405002

1228962-22-8

Structural Information

Molecular Formula
C18H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H32BNO4/c1-15(2,3)22-14(21)20-11-10-13(16(4,5)12-20)19-23-17(6,7)18(8,9)24-19/h10H,11-12H2,1-9H3
InChIKey
UEOHPSCEKLAWGB-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-dihydropyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

337.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24971 171.1
[M+Na]+ 360.23165 178.8
[M-H]- 336.23515 178.0
[M+NH4]+ 355.27625 189.6
[M+K]+ 376.20559 180.5
[M+H-H2O]+ 320.23969 167.9
[M+HCOO]- 382.24063 184.5
[M+CH3COO]- 396.25628 211.2
[M+Na-2H]- 358.21710 174.9
[M]+ 337.24188 175.7
[M]- 337.24298 175.7
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