CID 112500434

3'-deoxy-3'-(dimethylamino)adenosine

Structural Information

Molecular Formula
C12H18N6O3
SMILES
CN(C)[C@H]1[C@H]([C@@H](OC1CO)N2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C12H18N6O3/c1-17(2)8-6(3-19)21-12(9(8)20)18-5-16-7-10(13)14-4-15-11(7)18/h4-6,8-9,12,19-20H,3H2,1-2H3,(H2,13,14,15)/t6?,8-,9-,12-/m1/s1
InChIKey
CNRXXRJDMFDIEY-BWBLYKEVSA-N
Compound name
(2R,3R,4S)-2-(6-aminopurin-9-yl)-4-(dimethylamino)-5-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14404 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15132 166.5
[M+Na]+ 317.13326 175.8
[M-H]- 293.13676 169.8
[M+NH4]+ 312.17786 178.9
[M+K]+ 333.10720 173.7
[M+H-H2O]+ 277.14130 158.0
[M+HCOO]- 339.14224 184.8
[M+CH3COO]- 353.15789 177.4
[M+Na-2H]- 315.11871 167.7
[M]+ 294.14349 168.2
[M]- 294.14459 168.2
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.