CID 256916

19341-50-5

Structural Information

Molecular Formula
C15H28N2O6P2
SMILES
C1CCC(C1)NP2(=O)OCC3(CO2)COP(=O)(OC3)NC4CCCC4
InChI
InChI=1S/C15H28N2O6P2/c18-24(16-13-5-1-2-6-13)20-9-15(10-21-24)11-22-25(19,23-12-15)17-14-7-3-4-8-14/h13-14H,1-12H2,(H,16,18)(H,17,19)
InChIKey
JFDORNIVHIOAEW-UHFFFAOYSA-N
Compound name
3-N,9-N-dicyclopentyl-3,9-dioxo-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane-3,9-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

394.14227 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14955 184.9
[M+Na]+ 417.13149 184.6
[M-H]- 393.13499 193.5
[M+NH4]+ 412.17609 198.4
[M+K]+ 433.10543 188.0
[M+H-H2O]+ 377.13953 175.0
[M+HCOO]- 439.14047 207.2
[M+CH3COO]- 453.15612 218.3
[M+Na-2H]- 415.11694 183.7
[M]+ 394.14172 178.3
[M]- 394.14282 178.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.