CID 500123

Nsc651032

Structural Information

Molecular Formula
C13H17N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)C(C)O)N3C=NC=N3
InChI
InChI=1S/C13H17N5O4/c1-7-4-17(13(21)16-12(7)20)10-3-9(11(22-10)8(2)19)18-6-14-5-15-18/h4-6,8-11,19H,3H2,1-2H3,(H,16,20,21)/t8?,9-,10+,11+/m1/s1
InChIKey
UUKCXTBOFZZPRV-WVXRZKCLSA-N
Compound name
1-[(2S,4R,5R)-5-(1-hydroxyethyl)-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

0
References

0
Patents

307.12805 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13533 169.4
[M+Na]+ 330.11727 178.8
[M-H]- 306.12077 172.4
[M+NH4]+ 325.16187 178.3
[M+K]+ 346.09121 175.4
[M+H-H2O]+ 290.12531 160.1
[M+HCOO]- 352.12625 183.5
[M+CH3COO]- 366.14190 179.3
[M+Na-2H]- 328.10272 167.1
[M]+ 307.12750 169.5
[M]- 307.12860 169.5
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.