CID 454165

3prazt

Structural Information

Molecular Formula
C13H19N5O4
SMILES
CCCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])C
InChI
InChI=1S/C13H19N5O4/c1-3-4-17-12(20)8(2)6-18(13(17)21)11-5-9(15-16-14)10(7-19)22-11/h6,9-11,19H,3-5,7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKey
HPUXOOWJICVTBU-HBNTYKKESA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1437 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15098 171.1
[M+Na]+ 332.13292 179.2
[M-H]- 308.13642 178.0
[M+NH4]+ 327.17752 183.5
[M+K]+ 348.10686 172.1
[M+H-H2O]+ 292.14096 166.6
[M+HCOO]- 354.14190 196.2
[M+CH3COO]- 368.15755 206.4
[M+Na-2H]- 330.11837 176.3
[M]+ 309.14315 171.4
[M]- 309.14425 171.4
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.