CID 44119519

1210047-44-1

Structural Information

Molecular Formula
C13H16BN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NC=CN=C3N=C2
InChI
InChI=1S/C13H16BN3O2/c1-12(2)13(3,4)19-14(18-12)9-7-10-11(17-8-9)16-6-5-15-10/h5-8H,1-4H3
InChIKey
QLYMAIYXJXENHJ-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

257.13354 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14082 155.7
[M+Na]+ 280.12276 170.4
[M+NH4]+ 275.16736 166.3
[M+K]+ 296.09670 162.8
[M-H]- 256.12626 161.0
[M+Na-2H]- 278.10821 164.3
[M]+ 257.13299 159.8
[M]- 257.13409 159.8
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