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 212.7
[M+Na]+ 505.18462 219.0
[M-H]- 481.18812 220.0
[M+NH4]+ 500.22922 220.3
[M+K]+ 521.15856 212.0
[M+H-H2O]+ 465.19266 203.1
[M+HCOO]- 527.19360 231.5
[M+CH3COO]- 541.20925 220.0
[M+Na-2H]- 503.17007 211.9
[M]+ 482.19485 215.1
[M]- 482.19595 215.1
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.