CID 3040619

5,5'-terephthaloyldi(oxytryptamine) diacetate

Structural Information

Molecular Formula
C28H26N4O4
SMILES
C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)NC=C3CCN)C(=O)OC4=CC5=C(C=C4)NC=C5CCN
InChI
InChI=1S/C28H26N4O4/c29-11-9-19-15-31-25-7-5-21(13-23(19)25)35-27(33)17-1-2-18(4-3-17)28(34)36-22-6-8-26-24(14-22)20(10-12-30)16-32-26/h1-8,13-16,31-32H,9-12,29-30H2
InChIKey
MGHVNPNFMPCORO-UHFFFAOYSA-N
Compound name
bis[3-(2-aminoethyl)-1H-indol-5-yl] benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.1954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.20268 218.3
[M+Na]+ 505.18462 230.3
[M+NH4]+ 500.22922 222.9
[M+K]+ 521.15856 227.3
[M-H]- 481.18812 222.9
[M+Na-2H]- 503.17007 223.6
[M]+ 482.19485 221.0
[M]- 482.19595 221.0
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.