CID 16414224

1015242-07-5

Structural Information

Molecular Formula
C14H22BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N3CCCC3
InChI
InChI=1S/C14H22BN3O2/c1-13(2)14(3,4)20-15(19-13)11-9-16-12(17-10-11)18-7-5-6-8-18/h9-10H,5-8H2,1-4H3
InChIKey
CGSCNCRVBHIXSO-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-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

130
Patents

275.1805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18778 160.9
[M+Na]+ 298.16972 172.5
[M+NH4]+ 293.21432 170.8
[M+K]+ 314.14366 167.7
[M-H]- 274.17322 166.4
[M+Na-2H]- 296.15517 168.5
[M]+ 275.17995 164.4
[M]- 275.18105 164.4
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