CID 135459664

1,3-cyclohexanediol, 4-(2-amino-6-hydroxy-9h-purin-9-yl)-

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1C[C@H](C(C[C@H]1O)O)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)6-2-1-5(17)3-7(6)18/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6+,7?/m0/s1
InChIKey
UFIUQLLQJRETMD-GFCOJPQKSA-N
Compound name
2-amino-9-[(1R,4S)-2,4-dihydroxycyclohexyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1175 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 159.8
[M+Na]+ 288.10672 169.4
[M-H]- 264.11022 159.1
[M+NH4]+ 283.15132 171.6
[M+K]+ 304.08066 163.6
[M+H-H2O]+ 248.11476 151.4
[M+HCOO]- 310.11570 174.2
[M+CH3COO]- 324.13135 169.5
[M+Na-2H]- 286.09217 162.3
[M]+ 265.11695 155.3
[M]- 265.11805 155.3
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.