CID 5742780

1-[(3r,5s)-5-(azidomethyl)-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@H](CO[C@@]1(CN=[N+]=[N-])CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H13N5O4/c11-14-12-5-10(6-16)3-7(4-19-10)15-2-1-8(17)13-9(15)18/h1-2,7,16H,3-6H2,(H,13,17,18)/t7-,10+/m1/s1
InChIKey
YEAYEKFZKCRYOS-XCBNKYQSSA-N
Compound name
1-[(3R,5S)-5-(azidomethyl)-5-(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 152.9
[M+Na]+ 290.08596 160.1
[M-H]- 266.08946 158.2
[M+NH4]+ 285.13056 167.5
[M+K]+ 306.05990 153.3
[M+H-H2O]+ 250.09400 149.3
[M+HCOO]- 312.09494 177.8
[M+CH3COO]- 326.11059 190.5
[M+Na-2H]- 288.07141 162.9
[M]+ 267.09619 149.8
[M]- 267.09729 149.8
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.