CID 49767748

2-amino-9-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1-methyl-purin-6-one

Structural Information

Molecular Formula
C10H13N5O4
SMILES
CN1C(=O)C2=C(N=C1N)N(C=N2)[C@H]3CO[C@H](O3)CO
InChI
InChI=1S/C10H13N5O4/c1-14-9(17)7-8(13-10(14)11)15(4-12-7)5-3-18-6(2-16)19-5/h4-6,16H,2-3H2,1H3,(H2,11,13)/t5-,6-/m1/s1
InChIKey
DBKBFPLLJDDHOJ-PHDIDXHHSA-N
Compound name
2-amino-9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1-methylpurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09674 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 157.9
[M+Na]+ 290.08596 169.6
[M-H]- 266.08946 161.8
[M+NH4]+ 285.13056 170.3
[M+K]+ 306.05990 168.0
[M+H-H2O]+ 250.09400 150.1
[M+HCOO]- 312.09494 176.0
[M+CH3COO]- 326.11059 170.1
[M+Na-2H]- 288.07141 160.4
[M]+ 267.09619 161.4
[M]- 267.09729 161.4
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

No patent data available for this compound.