CID 16728318

Chembl373589

Structural Information

Molecular Formula
C9H13N5O3P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P+](=O)O
InChI
InChI=1S/C9H12N5O3P/c1-6(17-5-18(15)16)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2-,10,11,12,15,16)/p+1/t6-/m1/s1
InChIKey
VOZRLXCNSUCFSG-ZCFIWIBFSA-O
Compound name
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

270.0756 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08288 156.4
[M+Na]+ 293.06482 164.4
[M-H]- 269.06832 154.0
[M+NH4]+ 288.10942 169.0
[M+K]+ 309.03876 157.0
[M+H-H2O]+ 253.07286 148.1
[M+HCOO]- 315.07380 179.9
[M+CH3COO]- 329.08945 190.5
[M+Na-2H]- 291.05027 160.8
[M]+ 270.07505 158.0
[M]- 270.07615 158.0
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