CID 131418537

2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C15H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(C(=O)N3)C
InChI
InChI=1S/C15H20BNO4/c1-9-13(18)17-11-8-10(6-7-12(11)19-9)16-20-14(2,3)15(4,5)21-16/h6-9H,1-5H3,(H,17,18)
InChIKey
NCJQRPLCUOATGN-UHFFFAOYSA-N
Compound name
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15581 163.5
[M+Na]+ 312.13775 175.8
[M+NH4]+ 307.18235 173.4
[M+K]+ 328.11169 169.6
[M-H]- 288.14125 169.6
[M+Na-2H]- 310.12320 168.3
[M]+ 289.14798 167.3
[M]- 289.14908 167.3
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