CID 138039598

7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NCCOC3
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-5-6-13-11(9-12)10-18-8-7-17-13/h5-6,9,17H,7-8,10H2,1-4H3
InChIKey
UXEZBYMHQXFWJB-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,5-tetrahydro-4,1-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 164.1
[M+Na]+ 298.15850 173.9
[M+NH4]+ 293.20310 173.6
[M+K]+ 314.13244 168.7
[M-H]- 274.16200 169.9
[M+Na-2H]- 296.14395 169.2
[M]+ 275.16873 167.5
[M]- 275.16983 167.5
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

No patent data available for this compound.