CID 16110080

Hpmp-5-azac

Structural Information

Molecular Formula
C7H13N4O6P
SMILES
C1=NC(=NC(=O)N1C[C@@H](CO)OCP(=O)(O)O)N
InChI
InChI=1S/C7H13N4O6P/c8-6-9-3-11(7(13)10-6)1-5(2-12)17-4-18(14,15)16/h3,5,12H,1-2,4H2,(H2,8,10,13)(H2,14,15,16)/t5-/m0/s1
InChIKey
JEYKGEGRFZIHCQ-YFKPBYRVSA-N
Compound name
[(2S)-1-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

280.05728 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06456 159.3
[M+Na]+ 303.04650 165.9
[M-H]- 279.05000 153.9
[M+NH4]+ 298.09110 168.8
[M+K]+ 319.02044 164.5
[M+H-H2O]+ 263.05454 149.2
[M+HCOO]- 325.05548 180.2
[M+CH3COO]- 339.07113 192.9
[M+Na-2H]- 301.03195 161.3
[M]+ 280.05673 160.1
[M]- 280.05783 160.1
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

patents stripe