CID 440365

N'-phosphonatoguanidinoethyl methyl phosphate(2-)

Structural Information

Molecular Formula
C4H13N3O7P2
SMILES
COP(=O)(O)OCCN=C(N)NP(=O)(O)O
InChI
InChI=1S/C4H13N3O7P2/c1-13-16(11,12)14-3-2-6-4(5)7-15(8,9)10/h2-3H2,1H3,(H,11,12)(H5,5,6,7,8,9,10)
InChIKey
SKVVAASQKFJYKN-UHFFFAOYSA-N
Compound name
[[N'-[2-[hydroxy(methoxy)phosphoryl]oxyethyl]carbamimidoyl]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0229 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03018 154.9
[M+Na]+ 300.01212 158.6
[M-H]- 276.01562 149.6
[M+NH4]+ 295.05672 164.0
[M+K]+ 315.98606 160.1
[M+H-H2O]+ 260.02016 144.7
[M+HCOO]- 322.02110 178.7
[M+CH3COO]- 336.03675 198.0
[M+Na-2H]- 297.99757 157.7
[M]+ 277.02235 156.4
[M]- 277.02345 156.4
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.