CID 164628

Deoxy-tdp

Structural Information

Molecular Formula
C10H16N2O11P2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
UJLXYODCHAELLY-XLPZGREQSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

45
References

3657
Patents

402.02292 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.03020 179.1
[M+Na]+ 425.01214 183.8
[M-H]- 401.01564 175.8
[M+NH4]+ 420.05674 184.5
[M+K]+ 440.98608 185.4
[M+H-H2O]+ 385.02018 168.1
[M+HCOO]- 447.02112 200.2
[M+CH3COO]- 461.03677 208.8
[M+Na-2H]- 422.99759 179.4
[M]+ 402.02237 181.6
[M]- 402.02347 181.6
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