CID 3056482

Hexamethylenebis(tris(dimethylamino)phosphonium iodide)

Structural Information

Molecular Formula
C18H48N6P2
SMILES
CN(C)[P+](CCCCCC[P+](N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/C18H48N6P2/c1-19(2)25(20(3)4,21(5)6)17-15-13-14-16-18-26(22(7)8,23(9)10)24(11)12/h13-18H2,1-12H3/q+2
InChIKey
JNOUYJXMWVVVGY-UHFFFAOYSA-N
Compound name
tris(dimethylamino)-[6-[tris(dimethylamino)phosphaniumyl]hexyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.34158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.34886 257.9
[M+Na]+ 433.33080 274.8
[M-H]- 409.33430 269.6
[M+NH4]+ 428.37540 272.2
[M+K]+ 449.30474 263.6
[M+H-H2O]+ 393.33884 237.3
[M+HCOO]- 455.33978 266.3
[M+CH3COO]- 469.35543 252.8
[M+Na-2H]- 431.31625 247.1
[M]+ 410.34103 247.3
[M]- 410.34213 247.3
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.