CID 71306580

2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-2,3-dihydro-1h-perimidine

Structural Information

Molecular Formula

C₂₃H₂₅BN₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3NC4=CC=CC5=C4C(=CC=C5)N3

InChI

InChI=1S/C23H25BN2O2/c1-22(2)23(3,4)28-24(27-22)17-13-11-16(12-14-17)21-25-18-9-5-7-15-8-6-10-19(26-21)20(15)18/h5-14,21,25-26H,1-4H3

InChIKey

MLPBPXZGDAAUKD-UHFFFAOYSA-N

Compound name

2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydro-1H-perimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.2009 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]+	373.208176	191.1
[M+Na]+	395.190118	199.6
[M-H]-	371.193624	198.0
[M+NH4]+	390.234723	204.5
[M+K]+	411.164058	194.3
[M+H-H2O]+	355.198160	180.7
[M+HCOO]-	417.199101	200.8
[M+CH3COO]-	431.214751	200.0
[M+Na-2H]-	393.175566	193.7
[M]+	372.20035142	189.6
[M]-	372.20144858	189.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.