CID 215208

35231-84-6

Structural Information

Molecular Formula
C42H62N4O6P2
SMILES
CC1=CC(=CC=C1)OP(=O)(NCC[N+](C)(C)CCCCCC[N+](C)(C)CCNP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C)OC4=CC=CC(=C4)C
InChI
InChI=1S/C42H62N4O6P2/c1-35-17-13-21-39(31-35)49-53(47,50-40-22-14-18-36(2)32-40)43-25-29-45(5,6)27-11-9-10-12-28-46(7,8)30-26-44-54(48,51-41-23-15-19-37(3)33-41)52-42-24-16-20-38(4)34-42/h13-24,31-34H,9-12,25-30H2,1-8H3,(H,43,47)(H,44,48)/q+2
InChIKey
OPSGMDKSEOFLBI-UHFFFAOYSA-N
Compound name
2-[bis(3-methylphenoxy)phosphorylamino]ethyl-[6-[2-[bis(3-methylphenoxy)phosphorylamino]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

780.4145 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.42178 293.1
[M+Na]+ 803.40372 296.7
[M+NH4]+ 798.44832 299.9
[M+K]+ 819.37766 298.9
[M-H]- 779.40722 291.4
[M+Na-2H]- 801.38917 284.2
[M]+ 780.41395 294.9
[M]- 780.41505 294.9
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.