CID 5271018

N-[(1s,2r,3s,4r)-4-(6-amino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-formamide

Structural Information

Molecular Formula
C11H14N6O3
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)NC=O
InChI
InChI=1S/C11H14N6O3/c12-10-7-11(14-2-13-10)17(3-15-7)6-1-5(16-4-18)8(19)9(6)20/h2-6,8-9,19-20H,1H2,(H,16,18)(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
InChIKey
MJDUFTNEBQAOQA-LWIVVEGESA-N
Compound name
N-[(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.11273 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12001 159.1
[M+Na]+ 301.10195 168.8
[M-H]- 277.10545 160.6
[M+NH4]+ 296.14655 172.7
[M+K]+ 317.07589 164.4
[M+H-H2O]+ 261.10999 150.8
[M+HCOO]- 323.11093 178.4
[M+CH3COO]- 337.12658 169.9
[M+Na-2H]- 299.08740 161.4
[M]+ 278.11218 158.0
[M]- 278.11328 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

literature stripe

Patent stripe

No patent data available for this compound.