CID 169502220

N-despropylpropafenone-glucuronide

Structural Information

Molecular Formula
C24H29NO9
SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2OCC(CN)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C24H29NO9/c25-12-15(33-24-21(29)19(27)20(28)22(34-24)23(30)31)13-32-18-9-5-4-8-16(18)17(26)11-10-14-6-2-1-3-7-14/h1-9,15,19-22,24,27-29H,10-13,25H2,(H,30,31)
InChIKey
XFSUIZMTLRPJGK-UHFFFAOYSA-N
Compound name
6-[1-amino-3-[2-(3-phenylpropanoyl)phenoxy]propan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.18423 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.19151 211.7
[M+Na]+ 498.17345 218.6
[M+NH4]+ 493.21805 213.2
[M+K]+ 514.14739 217.2
[M-H]- 474.17695 213.7
[M+Na-2H]- 496.15890 212.3
[M]+ 475.18368 212.5
[M]- 475.18478 212.5
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.