CID 497817

Chembl375774

Structural Information

Molecular Formula
C15H23N5O
SMILES
C[C@]1(CC[C@@H](C1(C)C)CO)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C15H23N5O/c1-14(2)10(6-21)4-5-15(14,3)7-20-9-19-11-12(16)17-8-18-13(11)20/h8-10,21H,4-7H2,1-3H3,(H2,16,17,18)/t10-,15+/m1/s1
InChIKey
DCSSRHBXBZWLPV-BMIGLBTASA-N
Compound name
[(1S,3R)-3-[(6-aminopurin-9-yl)methyl]-2,2,3-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.19025 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19753 165.8
[M+Na]+ 312.17947 176.6
[M-H]- 288.18297 168.1
[M+NH4]+ 307.22407 184.2
[M+K]+ 328.15341 171.7
[M+H-H2O]+ 272.18751 157.7
[M+HCOO]- 334.18845 184.0
[M+CH3COO]- 348.20410 177.1
[M+Na-2H]- 310.16492 168.6
[M]+ 289.18970 166.8
[M]- 289.19080 166.8
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.