CID 130272

1h-pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-9-methyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-

Structural Information

Molecular Formula
C25H30N4O
SMILES
CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C25H30N4O/c1-26-23-11-6-5-10-21(23)22-12-15-29(25(30)24(22)26)14-7-13-27-16-18-28(19-17-27)20-8-3-2-4-9-20/h2-6,8-11H,7,12-19H2,1H3
InChIKey
RYHQBVCKCSNVHZ-UHFFFAOYSA-N
Compound name
9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

402.24197 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.24925 203.1
[M+Na]+ 425.23119 218.5
[M+NH4]+ 420.27579 210.8
[M+K]+ 441.20513 210.2
[M-H]- 401.23469 208.5
[M+Na-2H]- 423.21664 209.4
[M]+ 402.24142 206.9
[M]- 402.24252 206.9
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.