CID 452781

2'-methylamino-da

Structural Information

Molecular Formula
C11H16N6O3
SMILES
CN[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI
InChI=1S/C11H16N6O3/c1-13-6-8(19)5(2-18)20-11(6)17-4-16-7-9(12)14-3-15-10(7)17/h3-6,8,11,13,18-19H,2H2,1H3,(H2,12,14,15)/t5-,6-,8+,11-/m1/s1
InChIKey
XYSBLNMHIXKMEB-JJCHFMHPSA-N
Compound name
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(methylamino)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1284 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 161.6
[M+Na]+ 303.11762 171.2
[M-H]- 279.12112 163.6
[M+NH4]+ 298.16222 173.9
[M+K]+ 319.09156 168.0
[M+H-H2O]+ 263.12566 153.3
[M+HCOO]- 325.12660 179.7
[M+CH3COO]- 339.14225 172.3
[M+Na-2H]- 301.10307 164.0
[M]+ 280.12785 161.8
[M]- 280.12895 161.8
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.