CID 13474538

7772-76-1

Structural Information

Molecular Formula
C21H27NO10
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC)NC(=O)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C
InChI
InChI=1S/C21H27NO10/c1-12(23)28-11-16-18(30-13(2)24)19(31-14(3)25)17(20(27-4)32-16)22-21(26)29-10-15-8-6-5-7-9-15/h5-9,16-20H,10-11H2,1-4H3,(H,22,26)/t16-,17-,18-,19-,20+/m1/s1
InChIKey
IREJBJSFPQKDNH-WAPOTWQKSA-N
Compound name
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-methoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.16348 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17076 200.8
[M+Na]+ 476.15270 202.9
[M-H]- 452.15620 207.0
[M+NH4]+ 471.19730 207.2
[M+K]+ 492.12664 206.0
[M+H-H2O]+ 436.16074 191.6
[M+HCOO]- 498.16168 217.3
[M+CH3COO]- 512.17733 233.4
[M+Na-2H]- 474.13815 197.8
[M]+ 453.16293 208.4
[M]- 453.16403 208.4
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.