CID 135499597

2-amino-9-[(2s,4s)-4-(hydroxymethyl)-4-methyl-tetrahydrofuran-2-yl]-1h-purin-6-one

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C[C@]1(C[C@H](OC1)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C11H15N5O3/c1-11(3-17)2-6(19-4-11)16-5-13-7-8(16)14-10(12)15-9(7)18/h5-6,17H,2-4H2,1H3,(H3,12,14,15,18)/t6-,11-/m0/s1
InChIKey
GKXWTXPSUZYBPH-KGFZYKRKSA-N
Compound name
2-amino-9-[(2S,4S)-4-(hydroxymethyl)-4-methyloxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.1175 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 156.5
[M+Na]+ 288.10672 167.5
[M-H]- 264.11022 158.4
[M+NH4]+ 283.15132 171.5
[M+K]+ 304.08066 163.9
[M+H-H2O]+ 248.11476 148.9
[M+HCOO]- 310.11570 173.9
[M+CH3COO]- 324.13135 168.0
[M+Na-2H]- 286.09217 160.1
[M]+ 265.11695 156.7
[M]- 265.11805 156.7
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.