CID 373731

Nsc650631

Structural Information

Molecular Formula
C42H44N2P2
SMILES
C1=CC=C(C=C1)[P+](CCNCCNCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C42H44N2P2/c1-7-19-37(20-8-1)45(38-21-9-2-10-22-38,39-23-11-3-12-24-39)35-33-43-31-32-44-34-36-46(40-25-13-4-14-26-40,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30,43-44H,31-36H2/q+2
InChIKey
RTYNUXKTLFAESX-UHFFFAOYSA-N
Compound name
triphenyl-[2-[2-(2-triphenylphosphaniumylethylamino)ethylamino]ethyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.298 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.30528 266.7
[M+Na]+ 661.28722 260.3
[M-H]- 637.29072 276.9
[M+NH4]+ 656.33182 263.1
[M+K]+ 677.26116 241.4
[M+H-H2O]+ 621.29526 250.4
[M+HCOO]- 683.29620 289.4
[M+CH3COO]- 697.31185 257.7
[M+Na-2H]- 659.27267 267.7
[M]+ 638.29745 257.9
[M]- 638.29855 257.9
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.