CID 3056545

Decamethylenebis(tris(dimethylamino)phosphonium iodide)

Structural Information

Molecular Formula
C22H56N6P2
SMILES
CN(C)[P+](CCCCCCCCCC[P+](N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/C22H56N6P2/c1-23(2)29(24(3)4,25(5)6)21-19-17-15-13-14-16-18-20-22-30(26(7)8,27(9)10)28(11)12/h13-22H2,1-12H3/q+2
InChIKey
OTLKAZJWCHHNNG-UHFFFAOYSA-N
Compound name
tris(dimethylamino)-[10-[tris(dimethylamino)phosphaniumyl]decyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.40417 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.41145 271.8
[M+Na]+ 489.39339 287.9
[M-H]- 465.39689 282.1
[M+NH4]+ 484.43799 286.0
[M+K]+ 505.36733 278.3
[M+H-H2O]+ 449.40143 250.7
[M+HCOO]- 511.40237 278.6
[M+CH3COO]- 525.41802 264.0
[M+Na-2H]- 487.37884 259.1
[M]+ 466.40362 260.7
[M]- 466.40472 260.7
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.