CID 135465606

86357-20-2

Structural Information

Molecular Formula
C15H21N5O6
SMILES
CCC(=O)OCC(COC(=O)CC)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C15H21N5O6/c1-3-10(21)24-5-9(6-25-11(22)4-2)26-8-20-7-17-12-13(20)18-15(16)19-14(12)23/h7,9H,3-6,8H2,1-2H3,(H3,16,18,19,23)
InChIKey
REXRKIDYWJFGDK-UHFFFAOYSA-N
Compound name
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-propanoyloxypropyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

367.14917 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15645 181.8
[M+Na]+ 390.13839 189.1
[M-H]- 366.14189 180.1
[M+NH4]+ 385.18299 190.3
[M+K]+ 406.11233 186.9
[M+H-H2O]+ 350.14643 172.5
[M+HCOO]- 412.14737 198.7
[M+CH3COO]- 426.16302 214.9
[M+Na-2H]- 388.12384 182.6
[M]+ 367.14862 188.7
[M]- 367.14972 188.7
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

patents stripe