CID 135501639

N,n-dimethylguanosine

Structural Information

Molecular Formula
C12H17N5O5
SMILES
CN(C)C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1
InChIKey
RSPURTUNRHNVGF-IOSLPCCCSA-N
Compound name
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylamino)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

10853
Patents

311.12296 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13024 169.5
[M+Na]+ 334.11218 178.8
[M+NH4]+ 329.15678 172.7
[M+K]+ 350.08612 181.6
[M-H]- 310.11568 169.1
[M+Na-2H]- 332.09763 169.8
[M]+ 311.12241 170.1
[M]- 311.12351 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe