CID 154676046

2308582-06-9

Structural Information

Molecular Formula
C13H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N=C2)N=C(O3)C
InChI
InChI=1S/C13H17BN2O3/c1-8-16-11-10(17-8)6-9(7-15-11)14-18-12(2,3)13(4,5)19-14/h6-7H,1-5H3
InChIKey
RNSMOTZMOXHIMU-UHFFFAOYSA-N
Compound name
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,3]oxazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14048 151.9
[M+Na]+ 283.12242 166.0
[M+NH4]+ 278.16702 162.4
[M+K]+ 299.09636 161.5
[M-H]- 259.12592 158.1
[M+Na-2H]- 281.10787 159.0
[M]+ 260.13265 156.2
[M]- 260.13375 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe