CID 5272210

Schembl2386920

Structural Information

Molecular Formula
C12H12N4O5
SMILES
C1=CN(C(=O)N2C1=NC(=C2)C#N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H12N4O5/c13-3-6-4-16-8(14-6)1-2-15(12(16)20)11-10(19)9(18)7(5-17)21-11/h1-2,4,7,9-11,17-19H,5H2/t7-,9-,10-,11-/m1/s1
InChIKey
DVRVKUIECRFGKU-QCNRFFRDSA-N
Compound name
6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxoimidazo[1,2-c]pyrimidine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

292.08078 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08806 159.9
[M+Na]+ 315.07000 172.1
[M-H]- 291.07350 160.3
[M+NH4]+ 310.11460 171.2
[M+K]+ 331.04394 167.7
[M+H-H2O]+ 275.07804 145.8
[M+HCOO]- 337.07898 172.9
[M+CH3COO]- 351.09463 169.5
[M+Na-2H]- 313.05545 160.5
[M]+ 292.08023 156.8
[M]- 292.08133 156.8
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