CID 496545

Nsc693235

Structural Information

Molecular Formula
C16H24N6O4
SMILES
CNC1=C2C(=NC=N1)N(C(=N2)NC3CCCC3)[C@@H]4[C@H]([C@H]([C@@H](O4)CO)O)O
InChI
InChI=1S/C16H24N6O4/c1-17-13-10-14(19-7-18-13)22(15-12(25)11(24)9(6-23)26-15)16(21-10)20-8-4-2-3-5-8/h7-9,11-12,15,23-25H,2-6H2,1H3,(H,20,21)(H,17,18,19)/t9-,11-,12-,15-/m0/s1
InChIKey
BBQDTZUQOLAMMU-OXUWNYNTSA-N
Compound name
(2S,3S,4R,5S)-2-[8-(cyclopentylamino)-6-(methylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1859 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19318 179.8
[M+Na]+ 387.17512 185.9
[M-H]- 363.17862 184.2
[M+NH4]+ 382.21972 189.6
[M+K]+ 403.14906 182.8
[M+H-H2O]+ 347.18316 171.8
[M+HCOO]- 409.18410 194.9
[M+CH3COO]- 423.19975 188.4
[M+Na-2H]- 385.16057 177.7
[M]+ 364.18535 178.6
[M]- 364.18645 178.6
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.