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 214.0
[M+Na]+ 492.17412 214.7
[M-H]- 468.17762 225.1
[M+NH4]+ 487.21872 219.3
[M+K]+ 508.14806 209.7
[M+H-H2O]+ 452.18216 206.1
[M+HCOO]- 514.18310 236.8
[M+CH3COO]- 528.19875 237.2
[M+Na-2H]- 490.15957 216.8
[M]+ 469.18435 216.1
[M]- 469.18545 216.1
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.