CID 3076355

130889-47-3

Structural Information

Molecular Formula
C28H36N4O
SMILES
C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)CCN6CCOCC6
InChI
InChI=1S/C28H36N4O/c1-2-6-23(7-3-1)22-31-14-11-28(12-15-31)27-25(24-8-4-5-9-26(24)29-27)10-13-32(28)17-16-30-18-20-33-21-19-30/h1-9,29H,10-22H2
InChIKey
UXAWSHIPUMVHKC-UHFFFAOYSA-N
Compound name
4-[2-(1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2889 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.29618 215.5
[M+Na]+ 467.27812 229.6
[M+NH4]+ 462.32272 224.9
[M+K]+ 483.25206 219.4
[M-H]- 443.28162 223.2
[M+Na-2H]- 465.26357 222.0
[M]+ 444.28835 219.9
[M]- 444.28945 219.9
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.