CID 3076350

130880-61-4

Structural Information

Molecular Formula
C34H39N5O
SMILES
C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)C(=O)CN6CCN(CC6)C7=CC=CC=C7
InChI
InChI=1S/C34H39N5O/c40-32(26-37-21-23-38(24-22-37)28-11-5-2-6-12-28)39-18-15-30-29-13-7-8-14-31(29)35-33(30)34(39)16-19-36(20-17-34)25-27-9-3-1-4-10-27/h1-14,35H,15-26H2
InChIKey
GGYOIXHXKHPUKA-UHFFFAOYSA-N
Compound name
1-(1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.3155 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.32278 236.3
[M+Na]+ 556.30472 251.2
[M+NH4]+ 551.34932 244.5
[M+K]+ 572.27866 240.4
[M-H]- 532.30822 244.1
[M+Na-2H]- 554.29017 244.6
[M]+ 533.31495 240.8
[M]- 533.31605 240.8
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.