CID 454168

3-2,3epoxyprazt

Structural Information

Molecular Formula
C13H17N5O5
SMILES
CC1=CN(C(=O)N(C1=O)CC2CO2)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H17N5O5/c1-7-3-17(11-2-9(15-16-14)10(5-19)23-11)13(21)18(12(7)20)4-8-6-22-8/h3,8-11,19H,2,4-6H2,1H3/t8?,9-,10+,11+/m0/s1
InChIKey
VXSOMEACKFVTFQ-NVEZCULWSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(oxiran-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.12296 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13024 174.6
[M+Na]+ 346.11218 184.4
[M-H]- 322.11568 185.7
[M+NH4]+ 341.15678 180.5
[M+K]+ 362.08612 176.3
[M+H-H2O]+ 306.12022 170.3
[M+HCOO]- 368.12116 198.5
[M+CH3COO]- 382.13681 209.9
[M+Na-2H]- 344.09763 180.5
[M]+ 323.12241 178.0
[M]- 323.12351 178.0
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.