CID 3013646

[(2r,4s,5r)-4-(2,6-diaminopurin-9-yl)-5-methyl-1,3-dioxolan-2-yl]methanol

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C[C@@H]1[C@H](O[C@@H](O1)CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C10H14N6O3/c1-4-9(19-5(2-17)18-4)16-3-13-6-7(11)14-10(12)15-8(6)16/h3-5,9,17H,2H2,1H3,(H4,11,12,14,15)/t4-,5-,9+/m1/s1
InChIKey
LAIRFMCOOYHDHX-OJFKHTATSA-N
Compound name
[(2R,4S,5R)-4-(2,6-diaminopurin-9-yl)-5-methyl-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 159.8
[M+Na]+ 289.10195 170.6
[M-H]- 265.10545 163.3
[M+NH4]+ 284.14655 171.8
[M+K]+ 305.07589 168.6
[M+H-H2O]+ 249.10999 151.7
[M+HCOO]- 311.11093 178.1
[M+CH3COO]- 325.12658 171.4
[M+Na-2H]- 287.08740 162.1
[M]+ 266.11218 161.1
[M]- 266.11328 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.