CID 157387

79570-62-0

Structural Information

Molecular Formula
C10H17FN3O13P3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F
InChI
InChI=1S/C10H17FN3O13P3/c1-4-2-14(10(16)13-8(4)12)9-6(11)7(15)5(25-9)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,5-7,9,15H,3H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,7-,9-/m1/s1
InChIKey
ZGJOFWKMPGJMDN-JVZYCSMKSA-N
Compound name
[[(2R,3R,4S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

498.99582 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.00310 195.1
[M+Na]+ 521.98504 200.0
[M-H]- 497.98854 192.5
[M+NH4]+ 517.02964 195.5
[M+K]+ 537.95898 194.1
[M+H-H2O]+ 481.99308 182.0
[M+HCOO]- 543.99402 198.4
[M+CH3COO]- 558.00967 231.2
[M+Na-2H]- 519.97049 199.3
[M]+ 498.99527 185.7
[M]- 498.99637 185.7
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

No patent data available for this compound.