CID 513889

6-amino-9-[(1s,3r)-3-(hydroxymethyl)cyclopentyl]-n,n-dimethyl-purine-8-carboxamide

Structural Information

Molecular Formula
C14H20N6O2
SMILES
CN(C)C(=O)C1=NC2=C(N=CN=C2N1[C@H]3CC[C@H](C3)CO)N
InChI
InChI=1S/C14H20N6O2/c1-19(2)14(22)13-18-10-11(15)16-7-17-12(10)20(13)9-4-3-8(5-9)6-21/h7-9,21H,3-6H2,1-2H3,(H2,15,16,17)/t8-,9+/m1/s1
InChIKey
OVFUEBRGUOIVGI-BDAKNGLRSA-N
Compound name
6-amino-9-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-N,N-dimethylpurine-8-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.16476 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17204 170.1
[M+Na]+ 327.15398 178.0
[M-H]- 303.15748 173.6
[M+NH4]+ 322.19858 183.7
[M+K]+ 343.12792 175.0
[M+H-H2O]+ 287.16202 160.8
[M+HCOO]- 349.16296 189.2
[M+CH3COO]- 363.17861 209.8
[M+Na-2H]- 325.13943 170.0
[M]+ 304.16421 170.5
[M]- 304.16531 170.5
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.