CID 57415742

2018362-18-8

Structural Information

Molecular Formula
C12H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN3C=CN=C3N=C2
InChI
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-15-10-14-5-6-16(10)8-9/h5-8H,1-4H3
InChIKey
VZJUKPQNWSRILH-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.13356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14084 148.9
[M+Na]+ 268.12278 161.2
[M-H]- 244.12628 155.3
[M+NH4]+ 263.16738 168.8
[M+K]+ 284.09672 160.6
[M+H-H2O]+ 228.13082 142.1
[M+HCOO]- 290.13176 168.4
[M+CH3COO]- 304.14741 163.1
[M+Na-2H]- 266.10823 155.2
[M]+ 245.13301 154.1
[M]- 245.13411 154.1
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.