CID 49767510

2,4(1h,3h)-pyrimidinedione, 1-[3-azido-2,3-dideoxy-5-o-[(ethoxycarbonyl)(1-methylethoxy)phosphinyl]-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C16H24N5O8P
SMILES
CCOC(=O)P(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(C)C
InChI
InChI=1S/C16H24N5O8P/c1-5-26-16(24)30(25,29-9(2)3)27-8-12-11(19-20-17)6-13(28-12)21-7-10(4)14(22)18-15(21)23/h7,9,11-13H,5-6,8H2,1-4H3,(H,18,22,23)/t11-,12+,13+,30?/m0/s1
InChIKey
OCHXHWREUNHWFN-MBSBSVISSA-N
Compound name
ethyl [[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-propan-2-yloxyphosphoryl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.13626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.14354 195.5
[M+Na]+ 468.12548 199.1
[M-H]- 444.12898 201.0
[M+NH4]+ 463.17008 201.9
[M+K]+ 484.09942 195.3
[M+H-H2O]+ 428.13352 188.7
[M+HCOO]- 490.13446 222.0
[M+CH3COO]- 504.15011 229.2
[M+Na-2H]- 466.11093 199.1
[M]+ 445.13571 199.1
[M]- 445.13681 199.1
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.