CID 3751900

5'-(2,3,4,6-tetra-o-acetyl-beta-d-galactopyranosyl) tetrazole

Structural Information

Molecular Formula
C15H20N4O9
SMILES
CC(=O)OCC1C(C(C(C(O1)C2=NNN=N2)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C15H20N4O9/c1-6(20)24-5-10-11(25-7(2)21)12(26-8(3)22)13(27-9(4)23)14(28-10)15-16-18-19-17-15/h10-14H,5H2,1-4H3,(H,16,17,18,19)
InChIKey
VKNLELDKGFXCBY-UHFFFAOYSA-N
Compound name
[3,4,5-triacetyloxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

400.12302 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.130296 184.4
[M+Na]+ 423.112238 189.3
[M-H]- 399.115744 185.5
[M+NH4]+ 418.156843 189.2
[M+K]+ 439.086178 191.0
[M+H-H2O]+ 383.120280 175.4
[M+HCOO]- 445.121221 195.8
[M+CH3COO]- 459.136871 217.5
[M+Na-2H]- 421.097686 180.9
[M]+ 400.12247142 190.0
[M]- 400.12356858 190.0
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