CID 67182032

1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl)piperidin-4-one

Structural Information

Molecular Formula
C15H22BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCC(=O)CC3
InChI
InChI=1S/C15H22BN3O3/c1-14(2)15(3,4)22-16(21-14)11-9-17-13(18-10-11)19-7-5-12(20)6-8-19/h9-10H,5-8H2,1-4H3
InChIKey
NPMZOZZXAWXHLS-UHFFFAOYSA-N
Compound name
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

303.1754 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18268 168.1
[M+Na]+ 326.16462 176.1
[M-H]- 302.16812 175.1
[M+NH4]+ 321.20922 182.1
[M+K]+ 342.13856 175.6
[M+H-H2O]+ 286.17266 159.2
[M+HCOO]- 348.17360 181.8
[M+CH3COO]- 362.18925 179.1
[M+Na-2H]- 324.15007 170.5
[M]+ 303.17485 167.6
[M]- 303.17595 167.6
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