CID 5272203

6-(.beta.-d-ribofuranosyl)-2-methyl-6h-imidazo[1,2-c]-pyrimidin-5-one

Structural Information

Molecular Formula
C12H15N3O5
SMILES
CC1=CN2C(=N1)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H15N3O5/c1-6-4-15-8(13-6)2-3-14(12(15)19)11-10(18)9(17)7(5-16)20-11/h2-4,7,9-11,16-18H,5H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKey
VJZGVZAFXWSLQT-QCNRFFRDSA-N
Compound name
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylimidazo[1,2-c]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.10117 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.108446 160.3
[M+Na]+ 304.090388 171.5
[M-H]- 280.093894 162.8
[M+NH4]+ 299.134993 174.2
[M+K]+ 320.064328 168.5
[M+H-H2O]+ 264.098430 153.9
[M+HCOO]- 326.099371 176.8
[M+CH3COO]- 340.115021 192.8
[M+Na-2H]- 302.075836 161.0
[M]+ 281.10062142 163.3
[M]- 281.10171858 163.3
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

No patent data available for this compound.