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

36
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

literature stripe

Patent stripe

patents stripe