CID 656930

2',3'-dideoxycytosine-5'-diphosphate

Structural Information

Molecular Formula
C9H15N3O9P2
SMILES
C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
InChI
InChI=1S/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChIKey
FVSQWXITYSICAK-POYBYMJQSA-N
Compound name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

371.02835 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03563 173.8
[M+Na]+ 394.01757 177.8
[M-H]- 370.02107 172.1
[M+NH4]+ 389.06217 181.0
[M+K]+ 409.99151 179.5
[M+H-H2O]+ 354.02561 161.8
[M+HCOO]- 416.02655 198.4
[M+CH3COO]- 430.04220 207.7
[M+Na-2H]- 392.00302 175.1
[M]+ 371.02780 174.9
[M]- 371.02890 174.9
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.