CID 68423237

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxamide

Structural Information

Molecular Formula
C11H16BN3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C(=O)N
InChI
InChI=1S/C11H16BN3O3/c1-10(2)11(3,4)18-12(17-10)7-5-14-9(8(13)16)15-6-7/h5-6H,1-4H3,(H2,13,16)
InChIKey
XUGRBHITERVLNA-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12848 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13576 151.8
[M+Na]+ 272.11770 161.2
[M-H]- 248.12120 157.6
[M+NH4]+ 267.16230 169.2
[M+K]+ 288.09164 161.7
[M+H-H2O]+ 232.12574 145.6
[M+HCOO]- 294.12668 170.7
[M+CH3COO]- 308.14233 195.0
[M+Na-2H]- 270.10315 156.9
[M]+ 249.12793 153.7
[M]- 249.12903 153.7
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

No patent data available for this compound.