CID 133669328

5-chloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C12H15BClN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3N=C(C=CN3N=C2)Cl
InChI
InChI=1S/C12H15BClN3O2/c1-11(2)12(3,4)19-13(18-11)8-7-15-17-6-5-9(14)16-10(8)17/h5-7H,1-4H3
InChIKey
QQTOWQUKGNCYOV-UHFFFAOYSA-N
Compound name
5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.09457 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10185 155.7
[M+Na]+ 302.08379 169.4
[M-H]- 278.08729 162.1
[M+NH4]+ 297.12839 175.2
[M+K]+ 318.05773 167.1
[M+H-H2O]+ 262.09183 149.2
[M+HCOO]- 324.09277 170.4
[M+CH3COO]- 338.10842 169.6
[M+Na-2H]- 300.06924 160.7
[M]+ 279.09402 163.0
[M]- 279.09512 163.0
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.