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
2
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]+ 436.967576 194.3
[M+Na]+ 458.949518 193.8
[M-H]- 434.953024 205.7
[M+NH4]+ 453.994123 197.2
[M+K]+ 474.923458 182.3
[M+H-H2O]+ 418.957560 158.3
[M+HCOO]- 480.958501 201.3
[M+CH3COO]- 494.974151 218.0
[M+Na-2H]- 456.934966 176.1
[M]+ 435.95975142 188.1
[M]- 435.96084858 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.