CID 318089

64705-52-8

Structural Information

Molecular Formula
C6H8B2N4O3
SMILES
B1(C(=CC2=C(N=CN=C2N1)N)B(O)O)O
InChI
InChI=1S/C6H8B2N4O3/c9-5-3-1-4(8(14)15)7(13)12-6(3)11-2-10-5/h1-2,13-15H,(H3,9,10,11,12)
InChIKey
UQSNVDSFADOKCH-UHFFFAOYSA-N
Compound name
(5-amino-2-hydroxy-1H-pyrimido[5,4-e]azaborinin-3-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08553 141.6
[M+Na]+ 229.06747 149.8
[M-H]- 205.07097 137.0
[M+NH4]+ 224.11207 154.6
[M+K]+ 245.04141 145.6
[M+H-H2O]+ 189.07551 134.7
[M+HCOO]- 251.07645 155.1
[M+CH3COO]- 265.09210 179.2
[M+Na-2H]- 227.05292 147.3
[M]+ 206.07770 136.0
[M]- 206.07880 136.0
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.