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 261.5
[M+Na]+ 725.25822 261.1
[M-H]- 701.26172 251.0
[M+NH4]+ 720.30282 255.1
[M+K]+ 741.23216 257.6
[M+H-H2O]+ 685.26626 251.1
[M+HCOO]- 747.26720 256.3
[M+CH3COO]- 761.28285 275.5
[M+Na-2H]- 723.24367 262.6
[M]+ 702.26845 279.6
[M]- 702.26955 279.6
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.