CID 135480705

(s)-chpmpg

Structural Information

Molecular Formula
C9H12N5O5P
SMILES
C1[C@@H](OCP(=O)(O1)O)CN2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C9H12N5O5P/c10-9-12-7-6(8(15)13-9)11-3-14(7)1-5-2-19-20(16,17)4-18-5/h3,5H,1-2,4H2,(H,16,17)(H3,10,12,13,15)/t5-/m0/s1
InChIKey
SXKXNBODUIMEDX-YFKPBYRVSA-N
Compound name
2-amino-9-[[(5S)-2-hydroxy-2-oxo-1,4,2lambda5-dioxaphosphinan-5-yl]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

301.05762 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06490 164.6
[M+Na]+ 324.04684 174.2
[M-H]- 300.05034 165.0
[M+NH4]+ 319.09144 174.6
[M+K]+ 340.02078 172.7
[M+H-H2O]+ 284.05488 153.4
[M+HCOO]- 346.05582 184.2
[M+CH3COO]- 360.07147 197.9
[M+Na-2H]- 322.03229 167.0
[M]+ 301.05707 164.5
[M]- 301.05817 164.5
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

No patent data available for this compound.