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 161.7
[M+Na]+ 312.13775 171.9
[M-H]- 288.14125 170.5
[M+NH4]+ 307.18235 179.5
[M+K]+ 328.11169 172.7
[M+H-H2O]+ 272.14579 156.2
[M+HCOO]- 334.14673 177.1
[M+CH3COO]- 348.16238 202.4
[M+Na-2H]- 310.12320 166.7
[M]+ 289.14798 165.6
[M]- 289.14908 165.6
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