CID 454167

3allylazt

Structural Information

Molecular Formula
C13H17N5O4
SMILES
CC1=CN(C(=O)N(C1=O)CC=C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H17N5O4/c1-3-4-17-12(20)8(2)6-18(13(17)21)11-5-9(15-16-14)10(7-19)22-11/h3,6,9-11,19H,1,4-5,7H2,2H3/t9-,10+,11+/m0/s1
InChIKey
JTSRTJFOYKHHBB-HBNTYKKESA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.12805 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13533 170.2
[M+Na]+ 330.11727 178.5
[M-H]- 306.12077 177.1
[M+NH4]+ 325.16187 182.6
[M+K]+ 346.09121 170.8
[M+H-H2O]+ 290.12531 165.8
[M+HCOO]- 352.12625 195.4
[M+CH3COO]- 366.14190 205.5
[M+Na-2H]- 328.10272 175.3
[M]+ 307.12750 169.8
[M]- 307.12860 169.8
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.