CID 52911278

1416437-27-8

Structural Information

Molecular Formula
C12H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN3C(=CC=N3)N=C2
InChI
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-14-10-5-6-15-16(10)8-9/h5-8H,1-4H3
InChIKey
SPDVTVCGCCNYOC-UHFFFAOYSA-N
Compound name
6-(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

35
Patents

245.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14084 149.7
[M+Na]+ 268.12278 163.5
[M+NH4]+ 263.16738 160.2
[M+K]+ 284.09672 158.4
[M-H]- 244.12628 154.2
[M+Na-2H]- 266.10823 157.7
[M]+ 245.13301 153.3
[M]- 245.13411 153.3
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