CID 106155

Urea, tetra(methylene phosphonic acid)

Structural Information

Molecular Formula
C5H16N2O13P4
SMILES
C(N(CP(=O)(O)O)C(=O)N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C5H16N2O13P4/c8-5(6(1-21(9,10)11)2-22(12,13)14)7(3-23(15,16)17)4-24(18,19)20/h1-4H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey
QVOBKEISBGYEOZ-UHFFFAOYSA-N
Compound name
[bis(phosphonomethyl)carbamoyl-(phosphonomethyl)amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.9603 Da
Monoisotopic Mass

-7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.96758 194.3
[M+Na]+ 458.94952 193.8
[M-H]- 434.95302 205.7
[M+NH4]+ 453.99412 197.2
[M+K]+ 474.92346 182.3
[M+H-H2O]+ 418.95756 158.3
[M+HCOO]- 480.95850 201.3
[M+CH3COO]- 494.97415 218.0
[M+Na-2H]- 456.93497 176.1
[M]+ 435.95975 188.1
[M]- 435.96085 188.1
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.