CID 3076351

130889-42-8

Structural Information

Molecular Formula
C28H34N4O
SMILES
CC(N1CCCC1)(N2C=CC3=C(C24CCN(CC4)CC5=CC=CC=C5)NC6=CC=CC=C36)O
InChI
InChI=1S/C28H34N4O/c1-27(33,31-16-7-8-17-31)32-18-13-24-23-11-5-6-12-25(23)29-26(24)28(32)14-19-30(20-15-28)21-22-9-3-2-4-10-22/h2-6,9-13,18,29,33H,7-8,14-17,19-21H2,1H3
InChIKey
PEVFOALRTQWMJV-UHFFFAOYSA-N
Compound name
1-(1'-benzylspiro[9H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-1-pyrrolidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.27325 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.28053 210.3
[M+Na]+ 465.26247 222.9
[M+NH4]+ 460.30707 219.2
[M+K]+ 481.23641 216.3
[M-H]- 441.26597 215.4
[M+Na-2H]- 463.24792 217.5
[M]+ 442.27270 213.7
[M]- 442.27380 213.7
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.