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]+ 519.29658 227.1
[M+Na]+ 541.27852 230.4
[M-H]- 517.28202 229.6
[M+NH4]+ 536.32312 233.5
[M+K]+ 557.25246 223.2
[M+H-H2O]+ 501.28656 217.3
[M+HCOO]- 563.28750 244.0
[M+CH3COO]- 577.30315 245.6
[M+Na-2H]- 539.26397 223.8
[M]+ 518.28875 232.0
[M]- 518.28985 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.