CID 131751297

Nb-trans-feruloylserotonin glucoside

Structural Information

Molecular Formula
C26H30N2O9
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C26H30N2O9/c1-35-20-10-14(2-6-19(20)30)3-7-22(31)27-9-8-15-12-28-18-5-4-16(11-17(15)18)36-26-25(34)24(33)23(32)21(13-29)37-26/h2-7,10-12,21,23-26,28-30,32-34H,8-9,13H2,1H3,(H,27,31)/b7-3+
InChIKey
RZBNXMNICVMBNE-XVNBXDOJSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]ethyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1951 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.20238 224.1
[M+Na]+ 537.18432 232.1
[M+NH4]+ 532.22892 225.2
[M+K]+ 553.15826 231.5
[M-H]- 513.18782 225.8
[M+Na-2H]- 535.16977 223.2
[M]+ 514.19455 225.0
[M]- 514.19565 225.0
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.