CID 2784107

Methylphenylbis((phenylamino)methyl)phosphonium iodide

Structural Information

Molecular Formula
C21H24N2P
SMILES
C[P+](CNC1=CC=CC=C1)(CNC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H24N2P/c1-24(21-15-9-4-10-16-21,17-22-19-11-5-2-6-12-19)18-23-20-13-7-3-8-14-20/h2-16,22-23H,17-18H2,1H3/q+1
InChIKey
BQOIXPUJGLQCDQ-UHFFFAOYSA-N
Compound name
bis(anilinomethyl)-methyl-phenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.16772 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17500 184.6
[M+Na]+ 358.15694 186.9
[M-H]- 334.16044 191.9
[M+NH4]+ 353.20154 196.6
[M+K]+ 374.13088 175.6
[M+H-H2O]+ 318.16498 175.1
[M+HCOO]- 380.16592 212.5
[M+CH3COO]- 394.18157 209.5
[M+Na-2H]- 356.14239 190.9
[M]+ 335.16717 181.1
[M]- 335.16827 181.1
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

No patent data available for this compound.