CID 16729356

2-[(1r)-1-[(carbamimidoylcarbamoylamino)methyl]-2-hydroxy-ethoxy]ethylphosphonic acid

Structural Information

Molecular Formula
C7H17N4O6P
SMILES
C(CP(=O)(O)O)O[C@H](CNC(=O)N=C(N)N)CO
InChI
InChI=1S/C7H17N4O6P/c8-6(9)11-7(13)10-3-5(4-12)17-1-2-18(14,15)16/h5,12H,1-4H2,(H2,14,15,16)(H5,8,9,10,11,13)/t5-/m1/s1
InChIKey
GQINPKYPQNQLKK-RXMQYKEDSA-N
Compound name
2-[(2R)-1-(diaminomethylidenecarbamoylamino)-3-hydroxypropan-2-yl]oxyethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.08856 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09584 159.7
[M+Na]+ 307.07778 161.5
[M-H]- 283.08128 154.7
[M+NH4]+ 302.12238 172.1
[M+K]+ 323.05172 162.5
[M+H-H2O]+ 267.08582 150.6
[M+HCOO]- 329.08676 185.2
[M+CH3COO]- 343.10241 203.5
[M+Na-2H]- 305.06323 158.6
[M]+ 284.08801 157.0
[M]- 284.08911 157.1
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.