CID 475380

1-(4-azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-propoxymethyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H19N5O5
SMILES
CCCOCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H19N5O5/c1-2-3-22-7-8-5-18(13(21)15-12(8)20)11-4-9(16-17-14)10(6-19)23-11/h5,9-11,19H,2-4,6-7H2,1H3,(H,15,20,21)/t9-,10+,11+/m0/s1
InChIKey
MZXVNSFTVFDBPR-HBNTYKKESA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(propoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1386 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14588 172.5
[M+Na]+ 348.12782 178.9
[M-H]- 324.13132 177.7
[M+NH4]+ 343.17242 183.1
[M+K]+ 364.10176 171.6
[M+H-H2O]+ 308.13586 167.7
[M+HCOO]- 370.13680 196.3
[M+CH3COO]- 384.15245 205.0
[M+Na-2H]- 346.11327 178.4
[M]+ 325.13805 172.0
[M]- 325.13915 172.0
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.