CID 215212

35231-86-8

Structural Information

Molecular Formula
C46H70N4O6P2
SMILES
CCN(CC[N+](C)(C)CCCCCC[N+](C)(C)CCN(CC)P(=O)(OC1=CC=CC=C1C)OC2=CC=CC=C2C)P(=O)(OC3=CC=CC=C3C)OC4=CC=CC=C4C
InChI
InChI=1S/C46H70N4O6P2/c1-11-47(57(51,53-43-29-19-15-25-39(43)3)54-44-30-20-16-26-40(44)4)33-37-49(7,8)35-23-13-14-24-36-50(9,10)38-34-48(12-2)58(52,55-45-31-21-17-27-41(45)5)56-46-32-22-18-28-42(46)6/h15-22,25-32H,11-14,23-24,33-38H2,1-10H3/q+2
InChIKey
PZTUQSJSNLVPEX-UHFFFAOYSA-N
Compound name
2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-[6-[2-[bis(2-methylphenoxy)phosphoryl-ethylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

836.47705 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 837.48433 308.2
[M+Na]+ 859.46627 311.6
[M+NH4]+ 854.51087 314.9
[M+K]+ 875.44021 313.3
[M-H]- 835.46977 306.6
[M+Na-2H]- 857.45172 298.0
[M]+ 836.47650 310.1
[M]- 836.47760 310.1
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.