CID 123610993

1650548-32-5

Structural Information

Molecular Formula
C16H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(C(=O)N3)(C)C
InChI
InChI=1S/C16H22BNO4/c1-14(2)13(19)18-11-9-10(7-8-12(11)20-14)17-21-15(3,4)16(5,6)22-17/h7-9H,1-6H3,(H,18,19)
InChIKey
BQJWHDMVZLXMKC-UHFFFAOYSA-N
Compound name
2,2-dimethyl-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

13
Patents

303.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17146 163.7
[M+Na]+ 326.15340 174.2
[M-H]- 302.15690 171.4
[M+NH4]+ 321.19800 182.3
[M+K]+ 342.12734 174.3
[M+H-H2O]+ 286.16144 158.9
[M+HCOO]- 348.16238 177.3
[M+CH3COO]- 362.17803 203.0
[M+Na-2H]- 324.13885 169.4
[M]+ 303.16363 166.8
[M]- 303.16473 166.8
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