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 210.1
[M+Na]+ 463.28322 214.1
[M-H]- 439.28672 217.7
[M+NH4]+ 458.32782 218.1
[M+K]+ 479.25716 204.7
[M+H-H2O]+ 423.29126 195.8
[M+HCOO]- 485.29220 221.3
[M+CH3COO]- 499.30785 215.9
[M+Na-2H]- 461.26867 205.9
[M]+ 440.29345 205.3
[M]- 440.29455 205.3
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.