CID 3076353

130889-45-1

Structural Information

Molecular Formula
C28H36N4
SMILES
C1CCN(C1)CCN2CCC3=C(C24CCN(CC4)CC5=CC=CC=C5)NC6=CC=CC=C36
InChI
InChI=1S/C28H36N4/c1-2-8-23(9-3-1)22-31-18-13-28(14-19-31)27-25(24-10-4-5-11-26(24)29-27)12-17-32(28)21-20-30-15-6-7-16-30/h1-5,8-11,29H,6-7,12-22H2
InChIKey
ARUOMJAWXPKGMU-UHFFFAOYSA-N
Compound name
1'-benzyl-2-(2-pyrrolidin-1-ylethyl)spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.294 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.30128 207.9
[M+Na]+ 451.28322 211.1
[M-H]- 427.28672 212.9
[M+NH4]+ 446.32782 218.0
[M+K]+ 467.25716 201.4
[M+H-H2O]+ 411.29126 193.5
[M+HCOO]- 473.29220 215.5
[M+CH3COO]- 487.30785 212.8
[M+Na-2H]- 449.26867 203.9
[M]+ 428.29345 199.1
[M]- 428.29455 199.1
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.