CID 3006033

(2r,3s)-5-(6-aminopurin-9-yl)-2-methoxy-pentane-1,3-diol

Structural Information

Molecular Formula
C11H17N5O3
SMILES
CO[C@H](CO)[C@H](CCN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C11H17N5O3/c1-19-8(4-17)7(18)2-3-16-6-15-9-10(12)13-5-14-11(9)16/h5-8,17-18H,2-4H2,1H3,(H2,12,13,14)/t7-,8+/m0/s1
InChIKey
AKGJVWYLRMVUBD-JGVFFNPUSA-N
Compound name
(2R,3S)-5-(6-aminopurin-9-yl)-2-methoxypentane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.13315 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 159.5
[M+Na]+ 290.12237 167.6
[M-H]- 266.12587 156.5
[M+NH4]+ 285.16697 171.7
[M+K]+ 306.09631 164.5
[M+H-H2O]+ 250.13041 150.9
[M+HCOO]- 312.13135 176.3
[M+CH3COO]- 326.14700 195.4
[M+Na-2H]- 288.10782 163.3
[M]+ 267.13260 161.6
[M]- 267.13370 161.6
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.