CID 10484893

4,4''-bis(n-feruloyl)serotonin

Structural Information

Molecular Formula
C40H38N4O8
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CNC3=C2C(=C(C=C3)O)C4=C(C=CC5=C4C(=CN5)CCNC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)O
InChI
InChI=1S/C40H38N4O8/c1-51-33-19-23(3-9-29(33)45)5-13-35(49)41-17-15-25-21-43-27-7-11-31(47)39(37(25)27)40-32(48)12-8-28-38(40)26(22-44-28)16-18-42-36(50)14-6-24-4-10-30(46)34(20-24)52-2/h3-14,19-22,43-48H,15-18H2,1-2H3,(H,41,49)(H,42,50)/b13-5+,14-6+
InChIKey
URHRFQQPWDNDQE-ACFHMISVSA-N
Compound name
(E)-N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

702.269 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.27628 275.3
[M+Na]+ 725.25822 260.8
[M+NH4]+ 720.30282 275.2
[M+K]+ 741.23216 258.4
[M-H]- 701.26172 279.2
[M+Na-2H]- 723.24367 264.8
[M]+ 702.26845 256.9
[M]- 702.26955 256.9
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.