CID 503306

2-amino-edutp

Structural Information

Molecular Formula
C11H20N3O13P3
SMILES
CCC1=CN(C(=NC1=O)N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C11H20N3O13P3/c1-2-6-4-14(11(12)13-10(6)16)9-3-7(15)8(25-9)5-24-29(20,21)27-30(22,23)26-28(17,18)19/h4,7-9,15H,2-3,5H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
InChIKey
UBDYWELTGMORNN-DJLDLDEBSA-N
Compound name
[[(2R,3S,5R)-5-(2-amino-5-ethyl-4-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.0209 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.02818 193.6
[M+Na]+ 518.01012 198.3
[M-H]- 494.01362 190.7
[M+NH4]+ 513.05472 193.8
[M+K]+ 533.98406 192.8
[M+H-H2O]+ 478.01816 180.0
[M+HCOO]- 540.01910 196.8
[M+CH3COO]- 554.03475 230.0
[M+Na-2H]- 515.99557 197.4
[M]+ 495.02035 183.9
[M]- 495.02145 183.9
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.