CID 23634537

947315-18-6

Structural Information

Molecular Formula

C₂₂H₂₄NP

SMILES

CCC(C)(C)C1=NC(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24NP/c1-4-22(2,3)20-16-11-17-21(23-20)24(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-17H,4H2,1-3H3

InChIKey

ZEQMNGUCEYRQRF-UHFFFAOYSA-N

Compound name

[6-(2-methylbutan-2-yl)pyridin-2-yl]-diphenylphosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 333.16464 Da
Monoisotopic Mass: 5.9
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]+	334.17192	186.2
[M+Na]+	356.15386	190.7
[M-H]-	332.15736	192.3
[M+NH4]+	351.19846	198.1
[M+K]+	372.12780	184.9
[M+H-H2O]+	316.16190	173.5
[M+HCOO]-	378.16284	209.8
[M+CH3COO]-	392.17849	213.8
[M+Na-2H]-	354.13931	186.4
[M]+	333.16409	185.6
[M]-	333.16519	185.6

Literature stripe

literature stripe

Patent stripe

patents stripe