CID 135435044

104548-79-0

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@H](O[C@H](CO1)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-3-18-2-5(1-16)19-6/h4-6,16H,1-3H2,(H3,11,13,14,17)/t5-,6-/m1/s1
InChIKey
QISYBHKFILRQPT-PHDIDXHHSA-N
Compound name
2-amino-9-[(2R,6R)-6-(hydroxymethyl)-1,4-dioxan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09674 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 159.2
[M+Na]+ 290.08596 168.9
[M-H]- 266.08946 160.7
[M+NH4]+ 285.13056 168.6
[M+K]+ 306.05990 166.2
[M+H-H2O]+ 250.09400 150.2
[M+HCOO]- 312.09494 173.6
[M+CH3COO]- 326.11059 169.6
[M+Na-2H]- 288.07141 163.9
[M]+ 267.09619 158.3
[M]- 267.09729 158.3
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.