CID 135409820

Ethyl [2-[(2-amino-6-oxo-1h-purin-9-yl)methoxy]ethoxy-isopropoxy-phosphoryl]formate

Structural Information

Molecular Formula
C14H22N5O7P
SMILES
CCOC(=O)P(=O)(OCCOCN1C=NC2=C1N=C(NC2=O)N)OC(C)C
InChI
InChI=1S/C14H22N5O7P/c1-4-24-14(21)27(22,26-9(2)3)25-6-5-23-8-19-7-16-10-11(19)17-13(15)18-12(10)20/h7,9H,4-6,8H2,1-3H3,(H3,15,17,18,20)
InChIKey
YYDWYUMKYZBJQE-UHFFFAOYSA-N
Compound name
ethyl [2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethoxy-propan-2-yloxyphosphoryl]formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.12567 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.13295 188.5
[M+Na]+ 426.11489 194.9
[M-H]- 402.11839 185.8
[M+NH4]+ 421.15949 195.8
[M+K]+ 442.08883 194.4
[M+H-H2O]+ 386.12293 177.3
[M+HCOO]- 448.12387 209.9
[M+CH3COO]- 462.13952 221.1
[M+Na-2H]- 424.10034 188.9
[M]+ 403.12512 196.9
[M]- 403.12622 196.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.