CID 141635565

2229725-98-6

Structural Information

Molecular Formula

C₁₉H₂₁BN₂O₆

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCC(=O)NC4=O

InChI

InChI=1S/C19H21BN2O6/c1-18(2)19(3,4)28-20(27-18)10-5-6-11-12(9-10)17(26)22(16(11)25)13-7-8-14(23)21-15(13)24/h5-6,9,13H,7-8H2,1-4H3,(H,21,23,24)

InChIKey

HXUIXDCRHZHRBJ-UHFFFAOYSA-N

Compound name

2-(2,6-dioxopiperidin-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 384.14926 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]+	385.156536	183.3
[M+Na]+	407.138478	193.1
[M-H]-	383.141984	192.3
[M+NH4]+	402.183083	197.9
[M+K]+	423.112418	190.9
[M+H-H2O]+	367.146520	177.9
[M+HCOO]-	429.147461	195.5
[M+CH3COO]-	443.163111	218.1
[M+Na-2H]-	405.123926	181.3
[M]+	384.14871142	184.3
[M]-	384.14980858	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe