CID 29200

18671-82-4

Structural Information

Molecular Formula
C42H62N4O6P2
SMILES
C[N+](C)(CCCCCCCCCC[N+](C)(C)CCNP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)CCNP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C42H62N4O6P2/c1-45(2,37-33-43-53(47,49-39-25-15-11-16-26-39)50-40-27-17-12-18-28-40)35-23-9-7-5-6-8-10-24-36-46(3,4)38-34-44-54(48,51-41-29-19-13-20-30-41)52-42-31-21-14-22-32-42/h11-22,25-32H,5-10,23-24,33-38H2,1-4H3,(H,43,47)(H,44,48)/q+2
InChIKey
PKJOKFQASRRHNM-UHFFFAOYSA-N
Compound name
2-(diphenoxyphosphorylamino)ethyl-[10-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]decyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

780.4145 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.42178 286.0
[M+Na]+ 803.40372 276.5
[M-H]- 779.40722 293.5
[M+NH4]+ 798.44832 255.8
[M+K]+ 819.37766 264.3
[M+H-H2O]+ 763.41176 270.5
[M+HCOO]- 825.41270 283.2
[M+CH3COO]- 839.42835 288.7
[M+Na-2H]- 801.38917 295.1
[M]+ 780.41395 289.5
[M]- 780.41505 289.5
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.