CID 452139

3'-imidazoldt

Structural Information

Molecular Formula
C13H16N4O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C=CN=C3
InChI
InChI=1S/C13H16N4O4/c1-8-5-17(13(20)15-12(8)19)11-4-9(10(6-18)21-11)16-3-2-14-7-16/h2-3,5,7,9-11,18H,4,6H2,1H3,(H,15,19,20)/t9-,10+,11+/m0/s1
InChIKey
YKKUJLKEDKTFNE-HBNTYKKESA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-imidazol-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

292.11716 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12444 164.7
[M+Na]+ 315.10638 174.5
[M-H]- 291.10988 168.8
[M+NH4]+ 310.15098 175.7
[M+K]+ 331.08032 170.8
[M+H-H2O]+ 275.11442 156.0
[M+HCOO]- 337.11536 181.2
[M+CH3COO]- 351.13101 175.6
[M+Na-2H]- 313.09183 163.8
[M]+ 292.11661 164.9
[M]- 292.11771 164.9
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