CID 10394240

Oxabifor

Structural Information

Molecular Formula
C8H24N2O13P4
SMILES
C(COCCN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C8H24N2O13P4/c11-24(12,13)5-9(6-25(14,15)16)1-3-23-4-2-10(7-26(17,18)19)8-27(20,21)22/h1-8H2,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
InChIKey
YSMAMMWBEBTNEH-UHFFFAOYSA-N
Compound name
[2-[2-[bis(phosphonomethyl)amino]ethoxy]ethyl-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

480.0229 Da
Monoisotopic Mass

-11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.03018 191.4
[M+Na]+ 503.01212 197.5
[M+NH4]+ 498.05672 192.8
[M+K]+ 518.98606 206.9
[M-H]- 479.01562 191.9
[M+Na-2H]- 500.99757 193.0
[M]+ 480.02235 195.5
[M]- 480.02345 195.5
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

patents stripe