CID 12775727

136172-58-2

Structural Information

Molecular Formula
C24H27N3O7
SMILES
CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C24H27N3O7/c1-16(28)30-15-20-22(31-13-18-9-5-3-6-10-18)23(32-14-19-11-7-4-8-12-19)21(26-27-25)24(34-20)33-17(2)29/h3-12,20-24H,13-15H2,1-2H3
InChIKey
LFNIPGXHEHYFCA-UHFFFAOYSA-N
Compound name
[6-acetyloxy-5-azido-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.1849 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.19218 211.2
[M+Na]+ 492.17412 222.2
[M+NH4]+ 487.21872 215.5
[M+K]+ 508.14806 218.3
[M-H]- 468.17762 219.1
[M+Na-2H]- 490.15957 216.8
[M]+ 469.18435 214.5
[M]- 469.18545 214.5
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.