CID 25202587

5'-[(3-aminopropyl)methylamino]-5'-deoxyadenosine

Structural Information

Molecular Formula
C14H23N7O3
SMILES
CNCCCNC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H23N7O3/c1-16-3-2-4-17-5-8-10(22)11(23)14(24-8)21-7-20-9-12(15)18-6-19-13(9)21/h6-8,10-11,14,16-17,22-23H,2-5H2,1H3,(H2,15,18,19)/t8-,10-,11-,14-/m1/s1
InChIKey
FRPWQMPGADKOIA-IDTAVKCVSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18625 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19353 175.8
[M+Na]+ 360.17547 183.0
[M-H]- 336.17897 177.4
[M+NH4]+ 355.22007 185.4
[M+K]+ 376.14941 179.4
[M+H-H2O]+ 320.18351 166.6
[M+HCOO]- 382.18445 193.9
[M+CH3COO]- 396.20010 214.2
[M+Na-2H]- 358.16092 177.8
[M]+ 337.18570 176.3
[M]- 337.18680 176.3
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.