CID 145913134

2434640-42-1

Structural Information

Molecular Formula
C13H15BN4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN3C(=C(C=N3)C#N)N=C2
InChI
InChI=1S/C13H15BN4O2/c1-12(2)13(3,4)20-14(19-12)10-7-16-11-9(5-15)6-17-18(11)8-10/h6-8H,1-4H3
InChIKey
CLUXGOQJPLCDDZ-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.1288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13608 150.3
[M+Na]+ 293.11802 164.8
[M-H]- 269.12152 154.4
[M+NH4]+ 288.16262 166.8
[M+K]+ 309.09196 160.4
[M+H-H2O]+ 253.12606 136.0
[M+HCOO]- 315.12700 165.8
[M+CH3COO]- 329.14265 162.3
[M+Na-2H]- 291.10347 155.3
[M]+ 270.12825 150.2
[M]- 270.12935 150.2
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