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 218.8
[M+Na]+ 537.18432 221.9
[M-H]- 513.18782 221.5
[M+NH4]+ 532.22892 220.5
[M+K]+ 553.15826 218.6
[M+H-H2O]+ 497.19236 209.8
[M+HCOO]- 559.19330 228.1
[M+CH3COO]- 573.20895 237.2
[M+Na-2H]- 535.16977 215.2
[M]+ 514.19455 219.9
[M]- 514.19565 219.9
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.