CID 25383

P-aminoacetophenone glucoside

Structural Information

Molecular Formula
C14H19NO6
SMILES
CC(=O)C1=CC=C(C=C1)N[C@H]2C(C([C@@H](C(O2)CO)O)O)O
InChI
InChI=1S/C14H19NO6/c1-7(17)8-2-4-9(5-3-8)15-14-13(20)12(19)11(18)10(6-16)21-14/h2-5,10-16,18-20H,6H2,1H3/t10?,11-,12?,13?,14-/m1/s1
InChIKey
QRLWYCSOVKUMIF-YZYFRFPQSA-N
Compound name
1-[4-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12125 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 167.4
[M+Na]+ 320.11047 176.0
[M+NH4]+ 315.15507 171.9
[M+K]+ 336.08441 173.8
[M-H]- 296.11397 169.1
[M+Na-2H]- 318.09592 168.8
[M]+ 297.12070 168.6
[M]- 297.12180 168.6
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.