CID 9547937

{1,3-phenylenebis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)

Structural Information

Molecular Formula
C10H14N2O8P2
SMILES
C1=CC(=CC(=C1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O
InChI
InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20)
InChIKey
BHGKTXYPXMTFLT-UHFFFAOYSA-N
Compound name
[2-oxo-2-[3-[(2-phosphonoacetyl)amino]anilino]ethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.02255 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.02983 173.9
[M+Na]+ 375.01177 176.6
[M-H]- 351.01527 169.6
[M+NH4]+ 370.05637 183.5
[M+K]+ 390.98571 176.3
[M+H-H2O]+ 335.01981 163.1
[M+HCOO]- 397.02075 200.9
[M+CH3COO]- 411.03640 206.1
[M+Na-2H]- 372.99722 174.6
[M]+ 352.02200 173.3
[M]- 352.02310 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.