CID 389450

Nsc685584

Structural Information

Molecular Formula
C15H26N3O8P
SMILES
CC(C)(C)C(=O)OCOP(=O)(O)OCC1CCC(O1)N2C=CC(NC2=O)N
InChI
InChI=1S/C15H26N3O8P/c1-15(2,3)13(19)23-9-25-27(21,22)24-8-10-4-5-12(26-10)18-7-6-11(16)17-14(18)20/h6-7,10-12H,4-5,8-9,16H2,1-3H3,(H,17,20)(H,21,22)
InChIKey
BFIQXRQNIAXTCI-UHFFFAOYSA-N
Compound name
[[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.14575 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.15303 191.1
[M+Na]+ 430.13497 192.7
[M-H]- 406.13847 190.6
[M+NH4]+ 425.17957 197.4
[M+K]+ 446.10891 193.8
[M+H-H2O]+ 390.14301 181.5
[M+HCOO]- 452.14395 206.7
[M+CH3COO]- 466.15960 218.2
[M+Na-2H]- 428.12042 189.6
[M]+ 407.14520 191.2
[M]- 407.14630 191.2
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.