CID 452134

3'-pyrazol-arabino-dt

Structural Information

Molecular Formula
C13H16N4O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N3C=CC=N3)O
InChI
InChI=1S/C13H16N4O5/c1-7-5-16(13(21)15-11(7)20)12-10(19)9(8(6-18)22-12)17-4-2-3-14-17/h2-5,8-10,12,18-19H,6H2,1H3,(H,15,20,21)/t8-,9-,10+,12-/m1/s1
InChIKey
KCAFXBRTKGRNCU-MWGHHZFTSA-N
Compound name
1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-pyrazol-1-yloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.11206 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11934 168.2
[M+Na]+ 331.10128 178.0
[M-H]- 307.10478 171.4
[M+NH4]+ 326.14588 178.0
[M+K]+ 347.07522 174.2
[M+H-H2O]+ 291.10932 159.9
[M+HCOO]- 353.11026 183.3
[M+CH3COO]- 367.12591 196.8
[M+Na-2H]- 329.08673 166.3
[M]+ 308.11151 168.4
[M]- 308.11261 168.4
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.