CID 69094088

1219131-68-6

Structural Information

Molecular Formula
C16H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)C=C3)C
InChI
InChI=1S/C16H20BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-8-13-11(10-12)6-9-14(19)18(13)5/h6-10H,1-5H3
InChIKey
YFVDQUJLWUMLNG-UHFFFAOYSA-N
Compound name
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16091 161.6
[M+Na]+ 308.14285 176.4
[M+NH4]+ 303.18745 172.6
[M+K]+ 324.11679 168.3
[M-H]- 284.14635 167.8
[M+Na-2H]- 306.12830 169.5
[M]+ 285.15308 166.0
[M]- 285.15418 166.0
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