CID 11653765

Chembl1963500

Structural Information

Molecular Formula
C11H15ClN5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CCl)O)N=[N+]=[N-]
InChI
InChI=1S/C11H15ClN5O6P/c1-6-3-17(11(19)14-10(6)18)9-2-7(15-16-13)8(23-9)4-22-24(20,21)5-12/h3,7-9H,2,4-5H2,1H3,(H,20,21)(H,14,18,19)/t7-,8+,9+/m0/s1
InChIKey
PDCTYXOYZKEJGU-DJLDLDEBSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(chloromethyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.04486 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.05214 179.4
[M+Na]+ 402.03408 186.1
[M-H]- 378.03758 183.8
[M+NH4]+ 397.07868 189.0
[M+K]+ 418.00802 179.0
[M+H-H2O]+ 362.04212 174.0
[M+HCOO]- 424.04306 202.8
[M+CH3COO]- 438.05871 211.0
[M+Na-2H]- 400.01953 185.0
[M]+ 379.04431 180.8
[M]- 379.04541 180.8
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.