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

19
Patents

367.14917 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.156446 181.8
[M+Na]+ 390.138388 189.1
[M-H]- 366.141894 180.1
[M+NH4]+ 385.182993 190.3
[M+K]+ 406.112328 186.9
[M+H-H2O]+ 350.146430 172.5
[M+HCOO]- 412.147371 198.7
[M+CH3COO]- 426.163021 214.9
[M+Na-2H]- 388.123836 182.6
[M]+ 367.14862142 188.7
[M]- 367.14971858 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