CID 71238442

1421341-04-9

Structural Information

Molecular Formula
C14H18BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)OC3
InChI
InChI=1S/C14H18BNO4/c1-13(2)14(3,4)20-15(19-13)10-5-6-11-9(7-10)8-18-12(17)16-11/h5-7H,8H2,1-4H3,(H,16,17)
InChIKey
AJWPEXJLHLSCCV-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

275.13287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14015 159.5
[M+Na]+ 298.12209 171.7
[M+NH4]+ 293.16669 169.6
[M+K]+ 314.09603 165.5
[M-H]- 274.12559 165.6
[M+Na-2H]- 296.10754 164.8
[M]+ 275.13232 163.3
[M]- 275.13342 163.3
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