CID 477298

(s)-2'-azidoethyl-pmec

Structural Information

Molecular Formula
C9H15N6O5P
SMILES
C1=CN(C(=O)N=C1N)C[C@H](CCN=[N+]=[N-])OCP(=O)(O)O
InChI
InChI=1S/C9H15N6O5P/c10-8-2-4-15(9(16)13-8)5-7(1-3-12-14-11)20-6-21(17,18)19/h2,4,7H,1,3,5-6H2,(H2,10,13,16)(H2,17,18,19)/t7-/m0/s1
InChIKey
ZIIIVRLDZKDVEX-ZETCQYMHSA-N
Compound name
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-4-azidobutan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.08417 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09145 161.8
[M+Na]+ 341.07339 166.6
[M-H]- 317.07689 161.9
[M+NH4]+ 336.11799 172.0
[M+K]+ 357.04733 160.7
[M+H-H2O]+ 301.08143 155.5
[M+HCOO]- 363.08237 191.7
[M+CH3COO]- 377.09802 204.6
[M+Na-2H]- 339.05884 170.0
[M]+ 318.08362 160.8
[M]- 318.08472 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.