CID 8666

135-22-8

Structural Information

Molecular Formula
C29H36N4
SMILES
C1CCN(CC1)CN2C=C(C3=CC=CC=C32)CC4=CN(C5=CC=CC=C54)CN6CCCCC6
InChI
InChI=1S/C29H36N4/c1-7-15-30(16-8-1)22-32-20-24(26-11-3-5-13-28(26)32)19-25-21-33(23-31-17-9-2-10-18-31)29-14-6-4-12-27(25)29/h3-6,11-14,20-21H,1-2,7-10,15-19,22-23H2
InChIKey
QDDZNCHAEUZCPL-UHFFFAOYSA-N
Compound name
1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.294 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.30128 212.5
[M+Na]+ 463.28322 228.0
[M+NH4]+ 458.32782 221.2
[M+K]+ 479.25716 220.4
[M-H]- 439.28672 220.3
[M+Na-2H]- 461.26867 220.6
[M]+ 440.29345 217.1
[M]- 440.29455 217.1
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.