CID 211169

Brn 0578475

Structural Information

Molecular Formula
C25H30N4
SMILES
C1CN(CCN(C1)CCC2=CNC3=CC=CC=C32)CCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C25H30N4/c1-3-8-24-22(6-1)20(18-26-24)10-14-28-12-5-13-29(17-16-28)15-11-21-19-27-25-9-4-2-7-23(21)25/h1-4,6-9,18-19,26-27H,5,10-17H2
InChIKey
KYRFZXVBYYPTCP-UHFFFAOYSA-N
Compound name
3-[2-[4-[2-(1H-indol-3-yl)ethyl]-1,4-diazepan-1-yl]ethyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.24704 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.25432 197.0
[M+Na]+ 409.23626 203.3
[M-H]- 385.23976 202.2
[M+NH4]+ 404.28086 206.6
[M+K]+ 425.21020 196.5
[M+H-H2O]+ 369.24430 185.6
[M+HCOO]- 431.24524 210.2
[M+CH3COO]- 445.26089 204.0
[M+Na-2H]- 407.22171 196.3
[M]+ 386.24649 191.9
[M]- 386.24759 191.9
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.