CID 67303797

1219130-53-6

Structural Information

Molecular Formula

C₁₅H₁₈BNO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=O)NC3=CC=C2

InChI

InChI=1S/C15H18BNO3/c1-14(2)15(3,4)20-16(19-14)11-6-5-7-12-10(11)8-9-13(18)17-12/h5-9H,1-4H3,(H,17,18)

InChIKey

ICKRHHRNOZOKML-UHFFFAOYSA-N

Compound name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 271.13797 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.145246	157.7
[M+Na]+	294.127188	168.7
[M-H]-	270.130694	165.1
[M+NH4]+	289.171793	176.9
[M+K]+	310.101128	166.8
[M+H-H2O]+	254.135230	151.8
[M+HCOO]-	316.136171	175.5
[M+CH3COO]-	330.151821	171.0
[M+Na-2H]-	292.112636	164.0
[M]+	271.13742142	160.2
[M]-	271.13851858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe