CID 66674027

1h-pyrido[2,3-b][1,4]oxazin-2(3h)-one, 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Structural Information

Molecular Formula
C13H17BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)OCC(=O)N3
InChI
InChI=1S/C13H17BN2O4/c1-12(2)13(3,4)20-14(19-12)8-5-9-11(15-6-8)18-7-10(17)16-9/h5-6H,7H2,1-4H3,(H,16,17)
InChIKey
HVCWJQJUVCYLAA-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrido[2,3-b][1,4]oxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

276.12814 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13542 159.4
[M+Na]+ 299.11736 169.1
[M-H]- 275.12086 165.3
[M+NH4]+ 294.16196 175.2
[M+K]+ 315.09130 169.3
[M+H-H2O]+ 259.12540 152.9
[M+HCOO]- 321.12634 172.6
[M+CH3COO]- 335.14199 171.4
[M+Na-2H]- 297.10281 165.0
[M]+ 276.12759 160.9
[M]- 276.12869 160.9
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