CID 3056490

P-xylylenebis(tris(dimethylamino)phosphonium chloride)

Structural Information

Molecular Formula
C20H44N6P2
SMILES
CN(C)[P+](CC1=CC=C(C=C1)C[P+](N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
InChI
InChI=1S/C20H44N6P2/c1-21(2)27(22(3)4,23(5)6)17-19-13-15-20(16-14-19)18-28(24(7)8,25(9)10)26(11)12/h13-16H,17-18H2,1-12H3/q+2
InChIKey
NLXFHZAXOYJUAL-UHFFFAOYSA-N
Compound name
tris(dimethylamino)-[[4-[tris(dimethylamino)phosphaniumylmethyl]phenyl]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.31027 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.31755 250.8
[M+Na]+ 453.29949 270.1
[M-H]- 429.30299 263.5
[M+NH4]+ 448.34409 265.8
[M+K]+ 469.27343 256.0
[M+H-H2O]+ 413.30753 195.3
[M+HCOO]- 475.30847 264.2
[M+CH3COO]- 489.32412 254.9
[M+Na-2H]- 451.28494 241.4
[M]+ 430.30972 240.7
[M]- 430.31082 240.7
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.