CID 154700028

Ns00117740

Structural Information

Molecular Formula
C21H21NO8
SMILES
CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C21H21NO8/c1-10(23)22(30-21-18(26)16(24)17(25)19(29-21)20(27)28)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,16-19,21,24-26H,8H2,1H3,(H,27,28)/t16-,17-,18+,19-,21?/m0/s1
InChIKey
VPBPTHOOANATTD-DAZJWRSOSA-N
Compound name
(2S,3S,4S,5R)-6-[acetyl(9H-fluoren-2-yl)amino]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1267 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.13398 192.7
[M+Na]+ 438.11592 200.8
[M+NH4]+ 433.16052 196.9
[M+K]+ 454.08986 201.0
[M-H]- 414.11942 194.7
[M+Na-2H]- 436.10137 192.3
[M]+ 415.12615 193.8
[M]- 415.12725 193.8
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

No patent data available for this compound.