CID 29204

9015 hc

Structural Information

Molecular Formula
C40H58N4O6P2
SMILES
C[N+](C)(CCCCCCCC[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/C40H58N4O6P2/c1-43(2,35-31-41-51(45,47-37-23-13-9-14-24-37)48-38-25-15-10-16-26-38)33-21-7-5-6-8-22-34-44(3,4)36-32-42-52(46,49-39-27-17-11-18-28-39)50-40-29-19-12-20-30-40/h9-20,23-30H,5-8,21-22,31-36H2,1-4H3,(H,41,45)(H,42,46)/q+2
InChIKey
VEKCUCXAYVZJDM-UHFFFAOYSA-N
Compound name
2-(diphenoxyphosphorylamino)ethyl-[8-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]octyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

752.3832 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.39048 277.9
[M+Na]+ 775.37242 269.2
[M-H]- 751.37592 285.9
[M+NH4]+ 770.41702 249.9
[M+K]+ 791.34636 257.3
[M+H-H2O]+ 735.38046 262.7
[M+HCOO]- 797.38140 278.0
[M+CH3COO]- 811.39705 283.5
[M+Na-2H]- 773.35787 287.8
[M]+ 752.38265 280.8
[M]- 752.38375 280.8
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.