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

41
Patents

257.13354 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14082 155.3
[M+Na]+ 280.12276 166.4
[M-H]- 256.12626 160.9
[M+NH4]+ 275.16736 172.6
[M+K]+ 296.09670 165.5
[M+H-H2O]+ 240.13080 146.9
[M+HCOO]- 302.13174 172.1
[M+CH3COO]- 316.14739 168.2
[M+Na-2H]- 278.10821 162.7
[M]+ 257.13299 158.5
[M]- 257.13409 158.5
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