CID 135435197

2-amino-9-[(2r,4s,5r)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]purin-6-ol

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C[C@@H]1[C@H](O[C@@H](O1)CO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H13N5O4/c1-4-9(19-5(2-16)18-4)15-3-12-6-7(15)13-10(11)14-8(6)17/h3-5,9,16H,2H2,1H3,(H3,11,13,14,17)/t4-,5-,9+/m1/s1
InChIKey
HXYUCBUZWHXXGC-OJFKHTATSA-N
Compound name
2-amino-9-[(2R,4S,5R)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09674 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 158.5
[M+Na]+ 290.08596 169.7
[M-H]- 266.08946 161.1
[M+NH4]+ 285.13056 170.2
[M+K]+ 306.05990 167.4
[M+H-H2O]+ 250.09400 151.0
[M+HCOO]- 312.09494 175.1
[M+CH3COO]- 326.11059 170.0
[M+Na-2H]- 288.07141 160.6
[M]+ 267.09619 160.3
[M]- 267.09729 160.3
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.