CID 137951817

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

Structural Information

Molecular Formula
C15H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)COC3
InChI
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)11-5-6-12-10(7-11)8-19-9-13(18)17-12/h5-7H,8-9H2,1-4H3,(H,17,18)
InChIKey
FZEXRTCHOYIPIL-UHFFFAOYSA-N
Compound name
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5-dihydro-4,1-benzoxazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15581 166.2
[M+Na]+ 312.13775 175.8
[M+NH4]+ 307.18235 174.8
[M+K]+ 328.11169 171.2
[M-H]- 288.14125 171.3
[M+Na-2H]- 310.12320 170.5
[M]+ 289.14798 169.3
[M]- 289.14908 169.3
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

No patent data available for this compound.