CID 173130

Einecs 272-659-4

Structural Information

Molecular Formula
C6H20N2O16P4
SMILES
C(CN(COP(=O)(O)O)COP(=O)(O)O)N(COP(=O)(O)O)COP(=O)(O)O
InChI
InChI=1S/C6H20N2O16P4/c9-25(10,11)21-3-7(4-22-26(12,13)14)1-2-8(5-23-27(15,16)17)6-24-28(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey
BTXFLNAHFOCSLG-UHFFFAOYSA-N
Compound name
[2-[bis(phosphonooxymethyl)amino]ethyl-(phosphonooxymethyl)amino]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

499.97632 Da
Monoisotopic Mass

-11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.98360 190.0
[M+Na]+ 522.96554 196.4
[M+NH4]+ 518.01014 195.6
[M+K]+ 538.93948 206.1
[M-H]- 498.96904 191.2
[M+Na-2H]- 520.95099 192.3
[M]+ 499.97577 194.5
[M]- 499.97687 194.5
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.