CID 135515409

194159-18-7

Structural Information

Molecular Formula
C12H17N5O5
SMILES
CCC(=O)OCC(CO)OCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C12H17N5O5/c1-2-8(19)21-4-7(3-18)22-6-17-5-14-9-10(17)15-12(13)16-11(9)20/h5,7,18H,2-4,6H2,1H3,(H3,13,15,16,20)
InChIKey
WWWAJZGPKYMTAM-UHFFFAOYSA-N
Compound name
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

311.12296 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13024 168.8
[M+Na]+ 334.11218 177.3
[M+NH4]+ 329.15678 171.0
[M+K]+ 350.08612 177.5
[M-H]- 310.11568 165.0
[M+Na-2H]- 332.09763 169.5
[M]+ 311.12241 168.2
[M]- 311.12351 168.2
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

patents stripe