CID 3076352

130889-44-0

Structural Information

Molecular Formula
C34H38ClN5O
SMILES
C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)C(=O)CN6CCN(CC6)C7=CC(=CC=C7)Cl
InChI
InChI=1S/C34H38ClN5O/c35-27-9-6-10-28(23-27)39-21-19-38(20-22-39)25-32(41)40-16-13-30-29-11-4-5-12-31(29)36-33(30)34(40)14-17-37(18-15-34)24-26-7-2-1-3-8-26/h1-12,23,36H,13-22,24-25H2
InChIKey
HLYQYNMKLZYEPD-UHFFFAOYSA-N
Compound name
1-(1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.2765 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.28378 242.3
[M+Na]+ 590.26572 258.5
[M+NH4]+ 585.31032 250.8
[M+K]+ 606.23966 246.9
[M-H]- 566.26922 250.3
[M+Na-2H]- 588.25117 250.4
[M]+ 567.27595 247.4
[M]- 567.27705 247.4
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.