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

32
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 179.5
[M+Na]+ 408.10134 185.5
[M-H]- 384.10484 183.9
[M+NH4]+ 403.14594 189.0
[M+K]+ 424.07528 188.4
[M+H-H2O]+ 368.10938 172.2
[M+HCOO]- 430.11032 195.9
[M+CH3COO]- 444.12597 216.1
[M+Na-2H]- 406.08679 175.3
[M]+ 385.11157 188.6
[M]- 385.11267 188.6
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

patents stripe