CID 3076360

130908-34-8

Structural Information

Molecular Formula
C29H36N4O
SMILES
CC(N1CCCCC1)(N2C=CC3=C(C24CCN(CC4)CC5=CC=CC=C5)NC6=CC=CC=C36)O
InChI
InChI=1S/C29H36N4O/c1-28(34,32-17-8-3-9-18-32)33-19-14-25-24-12-6-7-13-26(24)30-27(25)29(33)15-20-31(21-16-29)22-23-10-4-2-5-11-23/h2,4-7,10-14,19,30,34H,3,8-9,15-18,20-22H2,1H3
InChIKey
WVBJGULOQLOEDF-UHFFFAOYSA-N
Compound name
1-(1'-benzylspiro[9H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-1-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2889 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.29618 216.6
[M+Na]+ 479.27812 230.0
[M+NH4]+ 474.32272 225.4
[M+K]+ 495.25206 220.8
[M-H]- 455.28162 222.2
[M+Na-2H]- 477.26357 224.2
[M]+ 456.28835 220.3
[M]- 456.28945 220.3
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.