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 197.3
[M+Na]+ 411.21554 202.4
[M-H]- 387.21904 200.6
[M+NH4]+ 406.26014 205.3
[M+K]+ 427.18948 193.3
[M+H-H2O]+ 371.22358 184.2
[M+HCOO]- 433.22452 207.1
[M+CH3COO]- 447.24017 203.5
[M+Na-2H]- 409.20099 197.2
[M]+ 388.22577 191.7
[M]- 388.22687 191.7
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.