CID 53216596

B-[2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]boronic acid

Structural Information

Molecular Formula
C9H15BN4O2
SMILES
B(C1=CN=C(N=C1)N2CCN(CC2)C)(O)O
InChI
InChI=1S/C9H15BN4O2/c1-13-2-4-14(5-3-13)9-11-6-8(7-12-9)10(15)16/h6-7,15-16H,2-5H2,1H3
InChIKey
FEYYRRPONOKNQL-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

222.1288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13608 151.5
[M+Na]+ 245.11802 157.6
[M-H]- 221.12152 149.7
[M+NH4]+ 240.16262 162.7
[M+K]+ 261.09196 154.2
[M+H-H2O]+ 205.12606 142.0
[M+HCOO]- 267.12700 164.0
[M+CH3COO]- 281.14265 184.0
[M+Na-2H]- 243.10347 155.3
[M]+ 222.12825 146.2
[M]- 222.12935 146.2
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