CID 3080793

40372-03-0

Structural Information

Molecular Formula
C14H18N4O8
SMILES
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H18N4O8/c1-6(19)23-4-9-10(24-7(2)20)11(25-8(3)21)14(26-9)18-5-16-13(17-18)12(15)22/h5,9-11,14H,4H2,1-3H3,(H2,15,22)/t9-,10-,11-,14-/m1/s1
InChIKey
XVXXBJKZJDPHAU-ZHSDAYTOSA-N
Compound name
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

370.11246 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11974 180.5
[M+Na]+ 393.10168 184.9
[M+NH4]+ 388.14628 180.8
[M+K]+ 409.07562 190.6
[M-H]- 369.10518 177.7
[M+Na-2H]- 391.08713 178.2
[M]+ 370.11191 179.2
[M]- 370.11301 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe