CID 131565140

1489264-77-8

Structural Information

Molecular Formula
C15H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)CO3)C
InChI
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)10-6-7-11-12(8-10)19-9-13(18)17(11)5/h6-8H,9H2,1-5H3
InChIKey
LFTAECCFDGZPPN-UHFFFAOYSA-N
Compound name
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

289.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15581 162.8
[M+Na]+ 312.13775 175.7
[M+NH4]+ 307.18235 173.0
[M+K]+ 328.11169 169.2
[M-H]- 288.14125 169.4
[M+Na-2H]- 310.12320 168.2
[M]+ 289.14798 166.9
[M]- 289.14908 166.9
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