CID 473806

Chembl1791451

Structural Information

Molecular Formula
C16H25N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C(C)C)C(=O)OC)O)N=[N+]=[N-]
InChI
InChI=1S/C16H25N6O8P/c1-8(2)13(15(24)28-4)20-31(26,27)29-7-11-10(19-21-17)5-12(30-11)22-6-9(3)14(23)18-16(22)25/h6,8,10-13H,5,7H2,1-4H3,(H,18,23,25)(H2,20,26,27)/t10-,11+,12+,13-/m0/s1
InChIKey
DUACTXDTZCRIFM-LOWDOPEQSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

460.14716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.15444 197.4
[M+Na]+ 483.13638 199.1
[M-H]- 459.13988 201.6
[M+NH4]+ 478.18098 221.7
[M+K]+ 499.11032 195.5
[M+H-H2O]+ 443.14442 190.6
[M+HCOO]- 505.14536 222.4
[M+CH3COO]- 519.16101 233.0
[M+Na-2H]- 481.12183 200.6
[M]+ 460.14661 197.7
[M]- 460.14771 197.7
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.