CID 135508790

(r)-2'-azidomethyl-pmeg

Structural Information

Molecular Formula
C9H13N8O5P
SMILES
C1=NC2=C(N1C[C@H](CN=[N+]=[N-])OCP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C9H13N8O5P/c10-9-14-7-6(8(18)15-9)12-3-17(7)2-5(1-13-16-11)22-4-23(19,20)21/h3,5H,1-2,4H2,(H2,19,20,21)(H3,10,14,15,18)/t5-/m0/s1
InChIKey
VWPXHOHRDQCOKV-YFKPBYRVSA-N
Compound name
[(2R)-1-(2-amino-6-oxo-1H-purin-9-yl)-3-azidopropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

344.07465 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08193 164.0
[M+Na]+ 367.06387 170.1
[M-H]- 343.06737 162.5
[M+NH4]+ 362.10847 172.5
[M+K]+ 383.03781 163.2
[M+H-H2O]+ 327.07191 157.4
[M+HCOO]- 389.07285 191.3
[M+CH3COO]- 403.08850 206.7
[M+Na-2H]- 365.04932 174.4
[M]+ 344.07410 162.7
[M]- 344.07520 162.7
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