CID 494908

Nsc636183

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CC1(C[C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)CO
InChI
InChI=1S/C11H15N5O3/c1-11(3-17)2-6(18)10(19-11)16-5-15-7-8(12)13-4-14-9(7)16/h4-6,10,17-18H,2-3H2,1H3,(H2,12,13,14)/t6-,10-,11?/m0/s1
InChIKey
HNPQFZZKHOMBJJ-WXLYIRANSA-N
Compound name
(2S,3S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-5-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1175 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 156.6
[M+Na]+ 288.10672 167.3
[M-H]- 264.11022 158.4
[M+NH4]+ 283.15132 171.6
[M+K]+ 304.08066 164.4
[M+H-H2O]+ 248.11476 149.0
[M+HCOO]- 310.11570 173.8
[M+CH3COO]- 324.13135 168.1
[M+Na-2H]- 286.09217 160.2
[M]+ 265.11695 157.4
[M]- 265.11805 157.4
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.