CID 3076354

130889-46-2

Structural Information

Molecular Formula
C29H38N4
SMILES
C1CCN(CC1)CCN2CCC3=C(C24CCN(CC4)CC5=CC=CC=C5)NC6=CC=CC=C36
InChI
InChI=1S/C29H38N4/c1-3-9-24(10-4-1)23-32-19-14-29(15-20-32)28-26(25-11-5-6-12-27(25)30-28)13-18-33(29)22-21-31-16-7-2-8-17-31/h1,3-6,9-12,30H,2,7-8,13-23H2
InChIKey
JILHEMWGDJECSC-UHFFFAOYSA-N
Compound name
1'-benzyl-2-(2-piperidin-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

442.30966 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.31694 213.1
[M+Na]+ 465.29888 214.8
[M-H]- 441.30238 216.7
[M+NH4]+ 460.34348 220.3
[M+K]+ 481.27282 204.5
[M+H-H2O]+ 425.30692 197.0
[M+HCOO]- 487.30786 217.6
[M+CH3COO]- 501.32351 216.4
[M+Na-2H]- 463.28433 210.9
[M]+ 442.30911 201.8
[M]- 442.31021 201.8
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.