CID 131723

134287-58-4

Structural Information

Molecular Formula
C12H15N5O4
SMILES
CC1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COC(CO)CO
InChI
InChI=1S/C12H15N5O4/c1-7-2-17-11(20)9-10(15-12(17)14-7)16(5-13-9)6-21-8(3-18)4-19/h2,5,8,18-19H,3-4,6H2,1H3,(H,14,15)
InChIKey
LYHBHLCAKKIOQX-UHFFFAOYSA-N
Compound name
3-(1,3-dihydroxypropan-2-yloxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

293.1124 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11968 164.5
[M+Na]+ 316.10162 176.5
[M-H]- 292.10512 161.9
[M+NH4]+ 311.14622 177.4
[M+K]+ 332.07556 171.8
[M+H-H2O]+ 276.10966 156.8
[M+HCOO]- 338.11060 180.8
[M+CH3COO]- 352.12625 175.1
[M+Na-2H]- 314.08707 168.0
[M]+ 293.11185 170.4
[M]- 293.11295 170.4
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.