CID 14728196

9-[6(rs)-8-diamino-5,6,7,8-tetradeoxy-beta-d-ribo-octofuranosyl]-9h-purin-6-amine

Structural Information

Molecular Formula
C13H21N7O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC(CCN)N)O)O)N
InChI
InChI=1S/C13H21N7O3/c14-2-1-6(15)3-7-9(21)10(22)13(23-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,14-15H2,(H2,16,17,18)/t6?,7-,9-,10-,13-/m1/s1
InChIKey
QVALTNMXXFDWHK-ZRURSIFKSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2,4-diaminobutyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1706 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.177876 172.9
[M+Na]+ 346.159818 180.3
[M-H]- 322.163324 174.0
[M+NH4]+ 341.204423 182.5
[M+K]+ 362.133758 177.0
[M+H-H2O]+ 306.167860 164.2
[M+HCOO]- 368.168801 189.2
[M+CH3COO]- 382.184451 181.7
[M+Na-2H]- 344.145266 172.4
[M]+ 323.17005142 170.8
[M]- 323.17114858 170.8
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.