CID 59117187

400620-72-6

Structural Information

Molecular Formula
C15H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)CC3
InChI
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-7-12-10(9-11)5-8-13(18)17-12/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChIKey
WXZHYBMYYOORDG-UHFFFAOYSA-N
Compound name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

273.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16091 161.1
[M+Na]+ 296.14285 173.3
[M+NH4]+ 291.18745 171.8
[M+K]+ 312.11679 166.0
[M-H]- 272.14635 166.4
[M+Na-2H]- 294.12830 167.1
[M]+ 273.15308 164.7
[M]- 273.15418 164.7
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