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]+ 324.17788 172.9
[M+Na]+ 346.15982 180.3
[M-H]- 322.16332 174.0
[M+NH4]+ 341.20442 182.5
[M+K]+ 362.13376 177.0
[M+H-H2O]+ 306.16786 164.2
[M+HCOO]- 368.16880 189.2
[M+CH3COO]- 382.18445 181.7
[M+Na-2H]- 344.14527 172.4
[M]+ 323.17005 170.8
[M]- 323.17115 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.