CID 394247

Nsc697575

Structural Information

Molecular Formula
C4H13N3O7P2
SMILES
C(CN=C(N)N)C(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C4H13N3O7P2/c5-3(6)7-2-1-4(8,15(9,10)11)16(12,13)14/h8H,1-2H2,(H4,5,6,7)(H2,9,10,11)(H2,12,13,14)
InChIKey
AOIXVCKLMKQFPC-UHFFFAOYSA-N
Compound name
[3-(diaminomethylideneamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0229 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.03018 158.1
[M+Na]+ 300.01212 161.0
[M-H]- 276.01562 149.7
[M+NH4]+ 295.05672 143.2
[M+K]+ 315.98606 161.3
[M+H-H2O]+ 260.02016 148.8
[M+HCOO]- 322.02110 158.9
[M+CH3COO]- 336.03675 194.7
[M+Na-2H]- 297.99757 160.2
[M]+ 277.02235 154.0
[M]- 277.02345 154.0
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.