CID 29202

9014 hc

Structural Information

Molecular Formula
C38H54N4O6P2
SMILES
C[N+](C)(CCCCCC[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/C38H54N4O6P2/c1-41(2,33-29-39-49(43,45-35-21-11-7-12-22-35)46-36-23-13-8-14-24-36)31-19-5-6-20-32-42(3,4)34-30-40-50(44,47-37-25-15-9-16-26-37)48-38-27-17-10-18-28-38/h7-18,21-28H,5-6,19-20,29-34H2,1-4H3,(H,39,43)(H,40,44)/q+2
InChIKey
DPUVCSRRMKEPSZ-UHFFFAOYSA-N
Compound name
2-(diphenoxyphosphorylamino)ethyl-[6-[2-(diphenoxyphosphorylamino)ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

724.35187 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.35915 269.6
[M+Na]+ 747.34109 261.9
[M-H]- 723.34459 278.0
[M+NH4]+ 742.38569 265.1
[M+K]+ 763.31503 250.2
[M+H-H2O]+ 707.34913 254.9
[M+HCOO]- 769.35007 296.1
[M+CH3COO]- 783.36572 278.3
[M+Na-2H]- 745.32654 280.4
[M]+ 724.35132 272.0
[M]- 724.35242 272.0
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.