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]+ 282.10845 160.3
[M+Na]+ 304.09039 171.5
[M-H]- 280.09389 162.8
[M+NH4]+ 299.13499 174.2
[M+K]+ 320.06433 168.5
[M+H-H2O]+ 264.09843 153.9
[M+HCOO]- 326.09937 176.8
[M+CH3COO]- 340.11502 192.8
[M+Na-2H]- 302.07584 161.0
[M]+ 281.10062 163.3
[M]- 281.10172 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.