CID 135508796

(s)-2'-azidoethyl-pmeg

Structural Information

Molecular Formula
C10H15N8O5P
SMILES
C1=NC2=C(N1C[C@H](CCN=[N+]=[N-])OCP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C10H15N8O5P/c11-10-15-8-7(9(19)16-10)13-4-18(8)3-6(1-2-14-17-12)23-5-24(20,21)22/h4,6H,1-3,5H2,(H2,20,21,22)(H3,11,15,16,19)/t6-/m0/s1
InChIKey
MSOSNPINZZQWRC-LURJTMIESA-N
Compound name
[(2S)-1-(2-amino-6-oxo-1H-purin-9-yl)-4-azidobutan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

358.0903 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09758 168.5
[M+Na]+ 381.07952 174.1
[M-H]- 357.08302 166.8
[M+NH4]+ 376.12412 176.4
[M+K]+ 397.05346 167.1
[M+H-H2O]+ 341.08756 161.7
[M+HCOO]- 403.08850 195.5
[M+CH3COO]- 417.10415 209.6
[M+Na-2H]- 379.06497 178.4
[M]+ 358.08975 167.5
[M]- 358.09085 167.5
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

patents stripe