CID 3072528

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

Structural Information

Molecular Formula
C24H28N4O
SMILES
C1CN(C(=O)C2=C1C3=CC=CC=C3N2)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C24H28N4O/c29-24-23-21(20-9-4-5-10-22(20)25-23)11-14-28(24)13-6-12-26-15-17-27(18-16-26)19-7-2-1-3-8-19/h1-5,7-10,25H,6,11-18H2
InChIKey
IPUUHHTXJRSSTB-UHFFFAOYSA-N
Compound name
2-[3-(4-phenylpiperazin-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.22632 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23360 198.7
[M+Na]+ 411.21554 213.3
[M+NH4]+ 406.26014 206.2
[M+K]+ 427.18948 205.4
[M-H]- 387.21904 203.5
[M+Na-2H]- 409.20099 204.9
[M]+ 388.22577 202.1
[M]- 388.22687 202.1
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.