CID 96662

19341-49-2

Structural Information

Molecular Formula
C17H32N2O6P2
SMILES
C1CCCN(CC1)P2(=O)OCC3(CO2)COP(=O)(OC3)N4CCCCCC4
InChI
InChI=1S/C17H32N2O6P2/c20-26(18-9-5-1-2-6-10-18)22-13-17(14-23-26)15-24-27(21,25-16-17)19-11-7-3-4-8-12-19/h1-16H2
InChIKey
GLJCNOTZDACPNG-UHFFFAOYSA-N
Compound name
3,9-bis(azepan-1-yl)-2,4,8,10-tetraoxa-3lambda5,9lambda5-diphosphaspiro[5.5]undecane 3,9-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.17355 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18083 194.6
[M+Na]+ 445.16277 194.9
[M-H]- 421.16627 201.3
[M+NH4]+ 440.20737 199.9
[M+K]+ 461.13671 197.8
[M+H-H2O]+ 405.17081 179.6
[M+HCOO]- 467.17175 205.6
[M+CH3COO]- 481.18740 223.6
[M+Na-2H]- 443.14822 191.2
[M]+ 422.17300 182.9
[M]- 422.17410 182.9
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.