CID 472591

Chembl3350445

Structural Information

Molecular Formula
C10H15N6O5P
SMILES
CC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)CP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H15N6O5P/c1-5-3-16(10(11)13-9(5)17)8-2-6(14-15-12)7(21-8)4-22(18,19)20/h3,6-8H,2,4H2,1H3,(H2,11,13,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey
FHRDAIUTLVEUTA-XLPZGREQSA-N
Compound name
[(2S,3S,5R)-5-(2-amino-5-methyl-4-oxopyrimidin-1-yl)-3-azidooxolan-2-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.08417 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09145 167.8
[M+Na]+ 353.07339 173.6
[M-H]- 329.07689 172.1
[M+NH4]+ 348.11799 178.1
[M+K]+ 369.04733 167.8
[M+H-H2O]+ 313.08143 161.6
[M+HCOO]- 375.08237 196.3
[M+CH3COO]- 389.09802 207.5
[M+Na-2H]- 351.05884 174.0
[M]+ 330.08362 164.6
[M]- 330.08472 164.6
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.