CID 472170

Hpmpc^3a

Structural Information

Molecular Formula
C10H15N4O5P
SMILES
C1=CN=C(C2=C1N(C=N2)C[C@@H](CO)OCP(=O)(O)O)N
InChI
InChI=1S/C10H15N4O5P/c11-10-9-8(1-2-12-10)14(5-13-9)3-7(4-15)19-6-20(16,17)18/h1-2,5,7,15H,3-4,6H2,(H2,11,12)(H2,16,17,18)/t7-/m0/s1
InChIKey
VMSMFSYUPGEFIX-ZETCQYMHSA-N
Compound name
[(2S)-1-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

19
Patents

302.078 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08528 165.9
[M+Na]+ 325.06722 172.9
[M-H]- 301.07072 161.8
[M+NH4]+ 320.11182 177.4
[M+K]+ 341.04116 170.7
[M+H-H2O]+ 285.07526 156.1
[M+HCOO]- 347.07620 187.4
[M+CH3COO]- 361.09185 197.5
[M+Na-2H]- 323.05267 168.2
[M]+ 302.07745 167.9
[M]- 302.07855 167.9
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