CID 482510

Chembl27445

Structural Information

Molecular Formula
C12H15N5O2
SMILES
C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H15N5O2/c1-6-7(3-18)9(19)2-8(6)17-5-16-10-11(13)14-4-15-12(10)17/h4-5,7-9,18-19H,1-3H2,(H2,13,14,15)/t7-,8-,9-/m0/s1
InChIKey
UDLQBJXBRLQCHJ-CIUDSAMLSA-N
Compound name
(1S,2R,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.1226 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 159.6
[M+Na]+ 284.11182 170.0
[M-H]- 260.11532 160.7
[M+NH4]+ 279.15642 174.3
[M+K]+ 300.08576 164.6
[M+H-H2O]+ 244.11986 151.5
[M+HCOO]- 306.12080 177.3
[M+CH3COO]- 320.13645 170.5
[M+Na-2H]- 282.09727 160.1
[M]+ 261.12205 158.0
[M]- 261.12315 158.0
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.