CID 11967949

Bis[o-(2',3'-dideoxycytidin-5'yl)]-o-methyl phosphate

Structural Information

Molecular Formula
C17H23N6O8P
SMILES
COP(=O)(O[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N)O[C@@H]3CC[C@@H](O3)N4C=CC(=NC4=O)N
InChI
InChI=1S/C17H23N6O8P/c1-27-32(26,30-14-4-2-12(28-14)22-8-6-10(18)20-16(22)24)31-15-5-3-13(29-15)23-9-7-11(19)21-17(23)25/h6-9,12-15H,2-5H2,1H3,(H2,18,20,24)(H2,19,21,25)/t12-,13-,14-,15-/m1/s1
InChIKey
APDOTWVQNFESLI-KBUPBQIOSA-N
Compound name
bis[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl] methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1315 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.13878 199.2
[M+Na]+ 493.12072 203.3
[M-H]- 469.12422 207.2
[M+NH4]+ 488.16532 200.8
[M+K]+ 509.09466 204.7
[M+H-H2O]+ 453.12876 186.6
[M+HCOO]- 515.12970 219.0
[M+CH3COO]- 529.14535 236.3
[M+Na-2H]- 491.10617 195.8
[M]+ 470.13095 200.6
[M]- 470.13205 200.6
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.