CID 6482483

[(1s,4r)-4-(6-aminopurin-9-yl)-1,2,3-trimethyl-cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C14H19N5O
SMILES
CC1=C([C@@](C[C@H]1N2C=NC3=C(N=CN=C32)N)(C)CO)C
InChI
InChI=1S/C14H19N5O/c1-8-9(2)14(3,5-20)4-10(8)19-7-18-11-12(15)16-6-17-13(11)19/h6-7,10,20H,4-5H2,1-3H3,(H2,15,16,17)/t10-,14-/m1/s1
InChIKey
DYPLHBNMDIGMHG-QMTHXVAHSA-N
Compound name
[(1S,4R)-4-(6-aminopurin-9-yl)-1,2,3-trimethylcyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.15897 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16625 162.9
[M+Na]+ 296.14819 174.9
[M-H]- 272.15169 165.7
[M+NH4]+ 291.19279 180.2
[M+K]+ 312.12213 169.8
[M+H-H2O]+ 256.15623 154.8
[M+HCOO]- 318.15717 182.6
[M+CH3COO]- 332.17282 174.9
[M+Na-2H]- 294.13364 165.0
[M]+ 273.15842 164.9
[M]- 273.15952 164.9
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.