CID 3040617

5,5'-sebacoyldi(oxytryptamine) diacetate

Structural Information

Molecular Formula
C30H38N4O4
SMILES
C1=CC2=C(C=C1OC(=O)CCCCCCCCC(=O)OC3=CC4=C(C=C3)NC=C4CCN)C(=CN2)CCN
InChI
InChI=1S/C30H38N4O4/c31-15-13-21-19-33-27-11-9-23(17-25(21)27)37-29(35)7-5-3-1-2-4-6-8-30(36)38-24-10-12-28-26(18-24)22(14-16-32)20-34-28/h9-12,17-20,33-34H,1-8,13-16,31-32H2
InChIKey
NBJAVEXTQMNWNO-UHFFFAOYSA-N
Compound name
bis[3-(2-aminoethyl)-1H-indol-5-yl] decanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.2893 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.296576 227.1
[M+Na]+ 541.278518 230.4
[M-H]- 517.282024 229.6
[M+NH4]+ 536.323123 233.5
[M+K]+ 557.252458 223.2
[M+H-H2O]+ 501.286560 217.3
[M+HCOO]- 563.287501 244.0
[M+CH3COO]- 577.303151 245.6
[M+Na-2H]- 539.263966 223.8
[M]+ 518.28875142 232.0
[M]- 518.28984858 232.0
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.