CID 5271683

[1-(azidomethyl)-2-(2,6-diaminopurin-9-yl)ethoxy]methylphosphonic acid

Structural Information

Molecular Formula
C9H14N9O4P
SMILES
C1=NC2=C(N=C(N=C2N1CC(CN=[N+]=[N-])OCP(=O)(O)O)N)N
InChI
InChI=1S/C9H14N9O4P/c10-7-6-8(16-9(11)15-7)18(3-13-6)2-5(1-14-17-12)22-4-23(19,20)21/h3,5H,1-2,4H2,(H2,19,20,21)(H4,10,11,15,16)
InChIKey
IMGGYYTXKGCJDB-UHFFFAOYSA-N
Compound name
[1-azido-3-(2,6-diaminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.09064 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09792 162.9
[M+Na]+ 366.07986 168.6
[M-H]- 342.08336 162.3
[M+NH4]+ 361.12446 171.7
[M+K]+ 382.05380 162.4
[M+H-H2O]+ 326.08790 155.9
[M+HCOO]- 388.08884 191.8
[M+CH3COO]- 402.10449 212.3
[M+Na-2H]- 364.06531 173.4
[M]+ 343.09009 161.1
[M]- 343.09119 161.1
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.