CID 3011383

(s)-hpmpo-dapym

Structural Information

Molecular Formula
C8H15N4O6P
SMILES
C1=C(N=C(N=C1OC[C@H](CO)OCP(=O)(O)O)N)N
InChI
InChI=1S/C8H15N4O6P/c9-6-1-7(12-8(10)11-6)17-3-5(2-13)18-4-19(14,15)16/h1,5,13H,2-4H2,(H2,14,15,16)(H4,9,10,11,12)/t5-/m0/s1
InChIKey
SDORNFBUOMQVCA-YFKPBYRVSA-N
Compound name
[(2S)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

44
Patents

294.0729 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.08018 162.7
[M+Na]+ 317.06212 167.7
[M-H]- 293.06562 157.9
[M+NH4]+ 312.10672 172.4
[M+K]+ 333.03606 166.8
[M+H-H2O]+ 277.07016 152.6
[M+HCOO]- 339.07110 184.9
[M+CH3COO]- 353.08675 198.9
[M+Na-2H]- 315.04757 163.8
[M]+ 294.07235 162.3
[M]- 294.07345 162.3
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

patents stripe