CID 90473254

Hexapotassium dihydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate

Structural Information

Molecular Formula
C7H18N2O12P4
SMILES
C(CCN=C(P(=O)(O)O)P(=O)(O)O)CCN=C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C7H18N2O12P4/c10-22(11,12)6(23(13,14)15)8-4-2-1-3-5-9-7(24(16,17)18)25(19,20)21/h1-5H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)
InChIKey
ATIAIAXSIYWFEX-UHFFFAOYSA-N
Compound name
[N-[5-(diphosphonomethylideneamino)pentyl]-C-phosphonocarbonimidoyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.98102 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.98830 182.1
[M+Na]+ 468.97024 188.8
[M+NH4]+ 464.01484 181.7
[M+K]+ 484.94418 199.3
[M-H]- 444.97374 182.8
[M+Na-2H]- 466.95569 184.6
[M]+ 445.98047 186.5
[M]- 445.98157 186.5
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.