CID 135459820

88110-89-8

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CC(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)
InChIKey
YKLKCCHLLFMWQE-UHFFFAOYSA-N
Compound name
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

297.10733 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 163.4
[M+Na]+ 320.09655 172.4
[M-H]- 296.10005 160.9
[M+NH4]+ 315.14115 174.3
[M+K]+ 336.07049 169.5
[M+H-H2O]+ 280.10459 154.9
[M+HCOO]- 342.10553 180.8
[M+CH3COO]- 356.12118 199.2
[M+Na-2H]- 318.08200 166.6
[M]+ 297.10678 167.1
[M]- 297.10788 167.1
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

patents stripe