CID 11764751

(e,e)-4,4''-bi(n-4-hydroxycinnamoylserotonin)

Structural Information

Molecular Formula
C38H34N4O6
SMILES
C1=CC(=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)O)O
InChI
InChI=1S/C38H34N4O6/c43-27-7-1-23(2-8-27)5-15-33(47)39-19-17-25-21-41-29-11-13-31(45)37(35(25)29)38-32(46)14-12-30-36(38)26(22-42-30)18-20-40-34(48)16-6-24-3-9-28(44)10-4-24/h1-16,21-22,41-46H,17-20H2,(H,39,47)(H,40,48)/b15-5+,16-6+
InChIKey
OIUNULHHOJRJBI-IAGONARPSA-N
Compound name
(E)-N-[2-[5-hydroxy-4-[5-hydroxy-3-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethyl]-1H-indol-4-yl]-1H-indol-3-yl]ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

642.24786 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.25514 247.2
[M+Na]+ 665.23708 249.8
[M-H]- 641.24058 253.4
[M+NH4]+ 660.28168 245.8
[M+K]+ 681.21102 241.6
[M+H-H2O]+ 625.24512 237.3
[M+HCOO]- 687.24606 259.1
[M+CH3COO]- 701.26171 249.7
[M+Na-2H]- 663.22253 243.5
[M]+ 642.24731 247.6
[M]- 642.24841 247.6
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.