CID 10150551

39925-10-5

Structural Information

Molecular Formula
C15H19N3O9
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)OC)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H19N3O9/c1-7(19)24-5-10-11(25-8(2)20)12(26-9(3)21)14(27-10)18-6-16-13(17-18)15(22)23-4/h6,10-12,14H,5H2,1-4H3/t10-,11-,12-,14-/m1/s1
InChIKey
OLQDKJGHMNCLOH-HKUMRIAESA-N
Compound name
methyl 1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

385.11212 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11940 182.9
[M+Na]+ 408.10134 188.2
[M+NH4]+ 403.14594 183.1
[M+K]+ 424.07528 193.6
[M-H]- 384.10484 179.5
[M+Na-2H]- 406.08679 180.7
[M]+ 385.11157 181.7
[M]- 385.11267 181.7
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

patents stripe