CID 66709075

1345469-26-2

Structural Information

Molecular Formula
C16H26BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)N(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H26BNO5/c1-14(2,3)21-13(20)18-9-8-11(10-12(18)19)17-22-15(4,5)16(6,7)23-17/h10H,8-9H2,1-7H3
InChIKey
GJEFRVPIVCXFQI-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

323.1904 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19768 168.5
[M+Na]+ 346.17962 176.2
[M-H]- 322.18312 175.5
[M+NH4]+ 341.22422 185.3
[M+K]+ 362.15356 177.9
[M+H-H2O]+ 306.18766 164.6
[M+HCOO]- 368.18860 182.9
[M+CH3COO]- 382.20425 206.9
[M+Na-2H]- 344.16507 171.8
[M]+ 323.18985 172.7
[M]- 323.19095 172.7
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