CID 515247

(1r,2r,3s,5r)-3-(6-amino-7,8-dihydropurin-9-yl)-5-methoxy-cyclopentane-1,2-diol

Structural Information

Molecular Formula
C11H17N5O3
SMILES
CO[C@@H]1C[C@@H]([C@H]([C@H]1O)O)N2CNC3=C(N=CN=C32)N
InChI
InChI=1S/C11H17N5O3/c1-19-6-2-5(8(17)9(6)18)16-4-15-7-10(12)13-3-14-11(7)16/h3,5-6,8-9,15,17-18H,2,4H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
InChIKey
MLOODEMODZSLKU-LWIVVEGESA-N
Compound name
(1R,2R,3S,5R)-3-(6-amino-7,8-dihydropurin-9-yl)-5-methoxycyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.13315 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 160.9
[M+Na]+ 290.12237 168.8
[M-H]- 266.12587 160.0
[M+NH4]+ 285.16697 174.4
[M+K]+ 306.09631 164.5
[M+H-H2O]+ 250.13041 153.0
[M+HCOO]- 312.13135 174.5
[M+CH3COO]- 326.14700 170.3
[M+Na-2H]- 288.10782 159.8
[M]+ 267.13260 156.5
[M]- 267.13370 156.5
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.