CID 452136

124355-34-6

Structural Information

Molecular Formula
C12H15N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)N3C=NC=N3)O
InChI
InChI=1S/C12H15N5O5/c1-6-2-16(12(21)15-10(6)20)11-9(19)8(7(3-18)22-11)17-5-13-4-14-17/h2,4-5,7-9,11,18-19H,3H2,1H3,(H,15,20,21)/t7-,8-,9+,11-/m1/s1
InChIKey
NFMNMHBUIZBSKA-SDNRWEOFSA-N
Compound name
1-[(2R,3S,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-(1,2,4-triazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.10733 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 168.9
[M+Na]+ 332.09655 179.1
[M-H]- 308.10005 171.0
[M+NH4]+ 327.14115 177.2
[M+K]+ 348.07049 175.2
[M+H-H2O]+ 292.10459 160.0
[M+HCOO]- 354.10553 182.9
[M+CH3COO]- 368.12118 197.0
[M+Na-2H]- 330.08200 167.0
[M]+ 309.10678 169.2
[M]- 309.10788 169.2
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.