CID 500124

Nsc651033

Structural Information

Molecular Formula
C12H15N5O4
SMILES
CC([C@H]1[C@@H](C[C@H](O1)N2C=CC(=O)NC2=O)N3C=NC=N3)O
InChI
InChI=1S/C12H15N5O4/c1-7(18)11-8(17-6-13-5-14-17)4-10(21-11)16-3-2-9(19)15-12(16)20/h2-3,5-8,10-11,18H,4H2,1H3,(H,15,19,20)/t7?,8-,10+,11+/m1/s1
InChIKey
RCYVHQQOBKRIMQ-NGJJGHSNSA-N
Compound name
1-[(2S,4R,5R)-5-(1-hydroxyethyl)-4-(1,2,4-triazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1124 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11968 164.3
[M+Na]+ 316.10162 173.2
[M-H]- 292.10512 167.0
[M+NH4]+ 311.14622 173.4
[M+K]+ 332.07556 170.1
[M+H-H2O]+ 276.10966 154.8
[M+HCOO]- 338.11060 178.8
[M+CH3COO]- 352.12625 174.3
[M+Na-2H]- 314.08707 163.2
[M]+ 293.11185 163.6
[M]- 293.11295 163.6
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.