CID 16218388

2,4-dimethoxypyrimidine-5-boronic acid pinacol ester

Structural Information

Molecular Formula
C12H19BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2OC)OC
InChI
InChI=1S/C12H19BN2O4/c1-11(2)12(3,4)19-13(18-11)8-7-14-10(17-6)15-9(8)16-5/h7H,1-6H3
InChIKey
RKHZHTLJEUBARP-UHFFFAOYSA-N
Compound name
2,4-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

266.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15108 153.1
[M+Na]+ 289.13302 163.6
[M-H]- 265.13652 159.5
[M+NH4]+ 284.17762 170.9
[M+K]+ 305.10696 165.2
[M+H-H2O]+ 249.14106 147.0
[M+HCOO]- 311.14200 172.2
[M+CH3COO]- 325.15765 196.8
[M+Na-2H]- 287.11847 159.1
[M]+ 266.14325 160.2
[M]- 266.14435 160.2
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