CID 396895

Nsc704061

Structural Information

Molecular Formula
C19H26N5O10P
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3CCC(O3)N4C=CC(=NC4=O)N
InChI
InChI=1S/C19H26N5O10P/c1-10-7-24(19(28)22-17(10)26)16-6-12(13(8-25)33-16)34-35(29,30)31-9-11-2-3-15(32-11)23-5-4-14(20)21-18(23)27/h4-5,7,11-13,15-16,25H,2-3,6,8-9H2,1H3,(H,29,30)(H2,20,21,27)(H,22,26,28)
InChIKey
HLRAYIKMWCUXSK-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.1417 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.14898 210.9
[M+Na]+ 538.13092 214.6
[M-H]- 514.13442 216.0
[M+NH4]+ 533.17552 209.4
[M+K]+ 554.10486 215.1
[M+H-H2O]+ 498.13896 199.4
[M+HCOO]- 560.13990 225.4
[M+CH3COO]- 574.15555 238.9
[M+Na-2H]- 536.11637 205.2
[M]+ 515.14115 212.2
[M]- 515.14225 212.2
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.