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
5
Annotation Hits

34
References

9650
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 168.9
[M+Na]+ 334.11218 178.7
[M-H]- 310.11568 170.4
[M+NH4]+ 329.15678 179.7
[M+K]+ 350.08612 176.2
[M+H-H2O]+ 294.12022 161.5
[M+HCOO]- 356.12116 184.1
[M+CH3COO]- 370.13681 202.3
[M+Na-2H]- 332.09763 169.0
[M]+ 311.12241 171.1
[M]- 311.12351 171.1
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.