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 203.6
[M+Na]+ 425.23119 209.5
[M-H]- 401.23469 208.3
[M+NH4]+ 420.27579 212.0
[M+K]+ 441.20513 200.9
[M+H-H2O]+ 385.23923 190.0
[M+HCOO]- 447.24017 214.4
[M+CH3COO]- 461.25582 210.1
[M+Na-2H]- 423.21664 202.3
[M]+ 402.24142 200.3
[M]- 402.24252 200.3
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.