CID 447001

(s)-pmpdap

Structural Information

Molecular Formula
C9H15N6O4P
SMILES
C[C@@H](CN1C=NC2=C(N=C(N=C21)N)N)OCP(=O)(O)O
InChI
InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/t5-/m0/s1
InChIKey
LWEKFDHXJHJYGB-YFKPBYRVSA-N
Compound name
[(2S)-1-(2,6-diaminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

302.08923 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09651 166.7
[M+Na]+ 325.07845 174.7
[M-H]- 301.08195 162.8
[M+NH4]+ 320.12305 177.3
[M+K]+ 341.05239 172.5
[M+H-H2O]+ 285.08649 156.4
[M+HCOO]- 347.08743 188.8
[M+CH3COO]- 361.10308 203.7
[M+Na-2H]- 323.06390 168.7
[M]+ 302.08868 167.9
[M]- 302.08978 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